Camellia sinensis - Seed
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Internal ID UUID64400f0e1ed33738080357
Scientific name Camellia sinensis
Authority (L.) Kuntze
First published in Trudy Imp. S.-Peterburgsk. Bot. Sada 10: 195 (1887)

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Synonyms Top

Scientific name Authority First published in
Theaphylla anamensis Raf. Sylva Tellur. : 139 (1838)
Theaphylla viridis Raf. Sylva Tellur. : 139 (1838)
Theaphylla laxa Raf. Sylva Tellur. : 139 (1838)
Thea latifolia Lodd. ex Sweet Hort. Brit. , ed. 3: 91 (1839)
Thea sinensis L. Sp. Pl. : 515 (1753)
Thea stricta Hayne Getreue Darstell. Gew. 7: t. 27 (1821)
Thea viridis L. Sp. Pl. ed. 2 : 735 (1762)
Camellia arborescens Chang, F.L.Yu & P.S.Wang Tea Sci. Res. J. (China) 1983: 18 (1983)
Camellia bohea (L.) Sweet Hort. Suburb. Lond. : 157 (1818)
Camellia chinensis (Sims) Kuntze Um die Erde : 500 (1881)
Camellia longlingensis F.C.Zhang, G.B.Chen & M.D.Tang Acta Bot. Yunnan. 12: 33 (1990)
Camellia oleosa (Lour.) Rehder J. Arnold Arbor. 18: 223 (1937)
Camellia sinensis f. macrophylla (Siebold ex Miq.) Kitam. Acta Phytotax. Geobot. 14: 59 1950
Camellia sinensis f. rosea (Makino) Kitam. Acta Phytotax. Geobot. 14: 58 1950
Camellia sinensis var. waldenae (S.Y.Hu) Hung T.Chang Taxonomy of the genus Camellia : 122 (1981)
Camellia thea Link Enum. Hort. Berol. Alt. 2: 73. 1822 [Jan-Jun 1822]
Camellia theifera var. macrophylla (Siebold ex Miq.) Matsum. Fig. Descr. Pl. Koishikawa Bot. Gard. 2: t. 28 1883
Camellia waldenae S.Y.Hu Wild Fl. Hong Kong : 61 (1977)
Camellia sinensis f. parvifolia (Miq.) Sealy Rev. Gen. Camellia 116 1958
Camellia viridis Sweet Hort. Suburb. Lond. : 157 (1818)
Thea formosensis Masam. & Suzuki Taiwan Zyumoku Benran : 262 (1937)
Camellia formosensis (Masam. & Suzuki) M.H.Su, C.F.Hsieh & C.H.Tsou Bot. Stud. (Taipei) 50: 481 (2009)
Thea bohea var. stricta Aiton Hort. Kew. 2: 231 (1789)
Thea parvifolia Salisb. Prodr. Stirp. Chap. Allerton : 370 (1796)
Thea oleosa Lour. Fl. Cochinch. : 339 (1790)
Thea bohea L. Sp. Pl. ed. 2 : 743 (1762)
Thea cantoniensis Lour. Fl. Cochinch. : 339 (1790)
Thea chinensis Sims Bot. Mag. 25: t. 998 (1807)
Camellia arborescens Hung T.Chang & F.L.Yu Acta Sci. Nat. Univ. Sunyatseni 29(2): 86 1990
Thea grandifolia Salisb. Prodr. Stirp. Chap. Allerton : 370 (1796)
Thea olearia Lour. ex Gomes Mem. Acad. Real Sci. Lisboa, 2 Cl. Sci. Moraes , n.s., 4(1): 29 (1868)
Thea sinensis var. macrophylla Siebold
Thea sinensis var. parvifolia Miq.
Theaphylla cantoniensis Raf. Sylva Tellur. : 139 (1838)
Camellia thea var. viridis (L.) G.Watt J. Roy. Hort. Soc. , n.s., 32: 72 (1907)
Camellia thea var. bohea (L.) G.Watt J. Roy. Hort. Soc. , n.s., 32: 75 (1907)
Camellia thea var. stricta (Hayne) G.Watt J. Roy. Hort. Soc. , n.s., 32: 77 (1907)

Common names Top

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Language Common/alternative name
English tea
English tea plant
English tea shrub
Spanish planta de té
Spanish camelia
Spanish camelia sinensis
Spanish camellia thea
Spanish te
Spanish
Spanish thea sinensis
Afrikaans teestruik
Amharic ሻይቅጠል
Amharic ካሜሊያ ሲኔንሲስ
Amharic ሻይ ቅጠል
Arabic كاميليا صينية
ary أتاي
Azerbaijani Çay
azb چای
Bulgarian чай
Bengali ক্যামেলিয়া সিনেনসিস
Bengali চা গাছ
Bengali ক্যামেলিয়া সাইনেনসিস
Bosnian Čaj
Catalan te
Czech čajovník čínský
Danish tebusken
Danish tebusk
German tee
German teepflanze
German teestrauch
diq Çay
dv ސައިފަތް
Esperanto teoarbedo
Estonian teepõõsas
Basque te
Persian کاملیا سیننسیس
Finnish teepensas
French thé
French thea sinensis
French théier
frr tee
fy teeplant
Galician
Hebrew קמיליה סיננסיס
Hebrew קמליה סינית
Hindi कैमेलिया साइनेन्सिस
Hindi कैमेलिया साइनेसिस
Hindi कामेल्या सीनेन्सीस्
Croatian kineski čajevac
Upper Sorbian chinski čajowc
Hungarian tea
Italian albero del tè
Italian foglia di tè
Italian pianta del tè
Japanese チャノキ(茶の木)
Japanese チャ
Japanese 茶の木
Japanese 茶樹
Japanese チャノキ
Georgian ჩაი
Kazakh Шай бұтағы
Korean 차나무
Ganda caayi
Lithuanian kininis arbatmedis
Latvian tējas krūms
Latvian tējaskrūms
Latvian tējas koks
Malagasy dite (zavamaniry)
Macedonian Чајна билка
Malayalam തേയില
mrj Чӓй
Malay pokok teh
nan tê-tsâng
nan tê-chhiū
nan tê-châng
nds teestruuk
nds teeplant
Nepali चीयाको बोट
Dutch thee
Dutch theestruik
Dutch theeplant
Norwegian Nynorsk tebuske
Norwegian Nynorsk tebusk
os Цайгæрдæг
Polish krzew herbaciany
Polish herbata chińska
Punjab چآ دا بوٹا
Portuguese chá
Portuguese chá-da-índia
Portuguese arbusto do chá
Portuguese thea sinensis
Quechua tiy thansa
Quechua tiy yura
Romanian ceai
Romanian camelia sinensis
Russian thea assamica
Russian thea sinensis
Russian Камелия китайская
Russian Китайская камелия
Russian Чай китайский
Russian Чайный куст
Russian чай
Kinyarwanda icyayi
sa चायसस्यम्
Slovak thea bohea
Slovak thea sinensis
Slovak thea viridis
Slovak čajovník čínsky
Slovenian Čajevec
Shona musvutugadzike
Serbian чај
Serbian Чај
Swedish tebuske
Swahili mchai
Tamil தேயிலை
Telugu తేయాకు
Thai ชา
Thai ต้นชา
Turkish Çay
Ukrainian thea sinensis
Ukrainian Чайний кущ
Ukrainian Чай
Uzbek choy
Vietnamese cây chè
Vietnamese cây trà
Vietnamese thea bohea
Vietnamese thea viridis
Vietnamese trà
Vietnamese chè
Walloon teyî
Chinese 皋芦
Chinese
Chinese 茶(茶树)
Chinese 茶叶
Chinese 茶子
Chinese 茶树根
Chinese 茶樹
Chinese 茶膏
Chinese 茶花
Chinese
Chinese
Chinese 茶树

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name Authority First published in
Camellia sinensis var. assamica (J.W.Mast.) Kitam. Acta Phytotax. Geobot. 14: 59 (1950)
Camellia sinensis var. dehungensis (Hung T.Chang & B.H.Chen) T.L.Ming Acta Bot. Yunnan. 14: 128 (1992)
Camellia sinensis var. pubilimba Hung T.Chang Taxonomy of the genus Camellia : 122 (1981)

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • Northeast Tropical Africa
      • Ethiopia
    • West-central Tropical Africa
      • Gulf Of Guinea Islands
    • Western Indian Ocean
      • Mauritius
      • Réunion
      • Seychelles
  • Asia-temperate
    • China
      • China North-central
      • China South-central
      • China Southeast
      • Hainan
      • Tibet
    • Eastern Asia
      • Japan
      • Korea
    • Western Asia
      • Turkey
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • East Himalaya
      • Nepal
      • Sri Lanka
    • Indo-China
      • Andaman Islands
      • Cambodia
      • Laos
      • Myanmar
      • Thailand
      • Vietnam
    • Malesia
      • Borneo
  • Southern America
    • Caribbean
      • Trinidad-Tobago
    • Southern South America
      • Argentina Northeast
    • Western South America
      • Bolivia

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000582676
UNII C5M4585ZBZ
USDA Plants CASI16
Tropicos 31600230
INPN 705999
KEW urn:lsid:ipni.org:names:828548-1
The Plant List kew-2694880
Missouri Botanical Garden 287342
Open Tree Of Life 1058509
Observations.org 513111
NCBI Taxonomy 4442
Nature Serve 2.736950
IUCN Red List 62037625
IPNI 828548-1
iNaturalist 123005
GBIF 3189635
Freebase /m/039t96
EPPO CAHSI
EOL 482447
Elurikkus 3327
USDA GRIN 8732
Wikipedia Camellia_sinensis
CMAUP NPO8258

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
Accession Assembly
Name Level Submitter Released Coverage Size
GCF_004153795.1 AHAU_CSS_1 Scaffold Anhui Agricultural University 2019-02-11 300.0x 2.89 Gb
GCA_004153795.2 AHAU_CSS_2 Scaffold Anhui Agricultural University 2019-04-21 300.0x 2.67 Gb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
Title Authors Publication Released IDs
Genome-wide characterization of post-transcriptional processes related to wood formation in Dalbergia odorifera Jiao N, Xu J, Wang Y, Li D, Chen F, Chen Y, Chen J BMC Genomics 16-Apr-2024
PMCID:PMC11022335
doi:10.1186/s12864-024-10300-7
PMID:38627613
Ethnobotanical survey on herbal remedies for the management of type 2 diabetes in the Casablanca-Settat region, Morocco Arraji M, Al Wachami N, Boumendil K, Chebabe M, Mochhoury L, Laamiri FZ, Barkaoui M, Chahboune M BMC Complement Med Ther 15-Apr-2024
PMCID:PMC11017650
doi:10.1186/s12906-024-04468-4
PMID:38622669
The manufacturing process provides green teas with differentiated nonvolatile profiles and influences the deterioration of flavor during storage at room temperature Zhou H, Liu Y, Wu Q, Zhang X, Wang H, Lei P Food Chem X 10-Apr-2024
PMCID:PMC11021834
doi:10.1016/j.fochx.2024.101371
PMID:38633742
Comprehensive assessment of carbon-, biomaterial- and inorganic-based adsorbents for the removal of the most hazardous heavy metal ions from wastewater Sheraz N, Shah A, Haleem A, Iftikhar FJ RSC Adv 09-Apr-2024
PMCID:PMC11002728
doi:10.1039/d4ra00976b
PMID:38595713
Comparative transcriptional analysis of Persea americana MYB, WRKY and AP2/ERF transcription factors following Phytophthora cinnamomi infection Fick A, Swart V, Bombarely A, van den Berg N Mol Plant Pathol 08-Apr-2024
PMCID:PMC11002358
doi:10.1111/mpp.13453
PMID:38590150
Roles of herbivorous insects salivary proteins Ma X, Yin Z, Li H, Guo J Heliyon 03-Apr-2024
PMCID:PMC11004886
doi:10.1016/j.heliyon.2024.e29201
PMID:38601688
Wuhu decoction combined with azithromycin for treatment of Mycoplasma pneumoniae pneumonia in Asian children: a systematic review and meta analysis of randomized controlled trials Yang S, Liu X, Wang H, Wang H, Sun D, Han Y, Li H, Li X Front Pharmacol 03-Apr-2024
PMCID:PMC11021718
doi:10.3389/fphar.2024.1329516
PMID:38633618
Metabolomic kinetics investigation of Camellia sinensis kombucha using mass spectrometry and bioinformatics approaches Jansen CA, Zanzarin DM, Março PH, Porto C, do Prado RM, Carvalhaes F, Pilau EJ Heliyon 02-Apr-2024
PMCID:PMC11004822
doi:10.1016/j.heliyon.2024.e28937
PMID:38601539
Integrated transcriptomic and WGCNA analyses reveal candidate genes regulating mainly flavonoid biosynthesis in Litsea coreana var. sinensis Xie N, Guo Q, Li H, Yuan G, Gui Q, Xiao Y, Liao M, Yang L BMC Plant Biol 01-Apr-2024
PMCID:PMC10985888
doi:10.1186/s12870-024-04949-1
PMID:38561656
Identification and characterization of two P450 enzymes from Citrus sinensis involved in TMTT and DMNT biosyntheses and Asian citrus psyllid defense Sun X, Hu C, Yi G, Zhang X Hortic Res 01-Apr-2024
PMCID:PMC11009467
doi:10.1093/hr/uhae037
PMID:38617747
Genome-wide identification of tea plant (Camellia sinensis) BAHD acyltransferases reveals their role in response to herbivorous pests Qiao D, Yang C, Mi X, Tang M, Liang S, Chen Z BMC Plant Biol 01-Apr-2024
PMCID:PMC10985903
doi:10.1186/s12870-024-04867-2
PMID:38561653
Strategies for Healthier Meat Foods: An Overview Espinales C, Baldeón M, Bravo C, Toledo H, Carballo J, Romero-Peña M, Cáceres PJ Prev Nutr Food Sci 31-Mar-2024
PMCID:PMC10987382
doi:10.3746/pnf.2024.29.1.18
PMID:38576885
Antioxidant and Anti-inflammatory Applications of Aerva persica Aqueous-Root Extract-Mediated Synthesis of ZnO Nanoparticles Fatima K, Asif M, Farooq U, Gilani SJ, Bin Jumah MN, Ahmed MM ACS Omega 29-Mar-2024
PMCID:PMC11007848
doi:10.1021/acsomega.3c08143
PMID:38617686
Tea (Camellia sinensis) cultivated in three agro-ecological regions of Bangladesh: Unveiling the variability of methylxanthine, bioactive phenolic compound, and antioxidant activity Abdullah AT, Sayka MI, Rahman MM, Sharif M, Khan TA, Jahan S, Mazumdar RM, Uddin MN, Hoque MM Heliyon 29-Mar-2024
PMCID:PMC11004530
doi:10.1016/j.heliyon.2024.e28760
PMID:38601675
Optimization of flavanonols heterologous biosynthesis in Streptomyces albidoflavus, and generation of auronols Magadán-Corpas P, Ye S, Braune A, Villar CJ, Lombó F Front Microbiol 28-Mar-2024
PMCID:PMC11007074
doi:10.3389/fmicb.2024.1378235
PMID:38605703

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Alkaloids and derivatives
[7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate 85161877 Click to see CC(C(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C=C(C)C)(C(C)(C)O)O)O 397.50 unknown https://doi.org/10.1271/BBB1961.46.1079
> Alkaloids and derivatives / Morphinans
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium 25244675 Click to see C[NH+]1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC 312.40 unknown via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones
2-Methylanthraquinone 6773 Click to see CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O 222.24 unknown https://doi.org/10.1016/S0378-8741(97)00069-X
> Benzenoids / Benzene and substituted derivatives
1-Phenylethanol 7409 Click to see CC(C1=CC=CC=C1)O 122.16 unknown via CMAUP database
Phenethyl isothiocyanate 16741 Click to see C1=CC=C(C=C1)CCN=C=S 163.24 unknown via CMAUP database
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
https://doi.org/10.1271/BBB.58.687
> Benzenoids / Benzene and substituted derivatives / Aniline and substituted anilines
Aniline 6115 Click to see C1=CC=C(C=C1)N 93.13 unknown https://doi.org/10.1021/JF60201A032
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
E-2-Hexenyl benzoate 5352456 Click to see CCCC=CCOC(=O)C1=CC=CC=C1 204.26 unknown via CMAUP database
Methyl benzoate 7150 Click to see COC(=O)C1=CC=CC=C1 136.15 unknown https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
Methyl Salicylate 4133 Click to see COC(=O)C1=CC=CC=C1O 152.15 unknown https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 unknown https://doi.org/10.1016/S0308-8146(03)00066-9
https://doi.org/10.1016/S0165-1161(96)90262-9
https://doi.org/10.1002/MNFR.200400064
https://doi.org/10.1016/S0308-8146(99)00179-X
https://doi.org/10.1021/JF980223X
https://doi.org/10.1271/BBB1961.46.1079
https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1016/J.FOODRES.2004.10.005
https://doi.org/10.1080/1071576021000006707
https://doi.org/10.1021/JF950652K
https://doi.org/10.1016/S0308-8146(02)00112-7
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
(2R,3R)-2-[(3aS,3bS,8aS)-3-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,6,8,8a-tetrahydro-5,7,8a-trihydroxy-1,6,8-trioxocyclopent[a]inden-3b(1H)-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 132472926 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5(C=C(C(=O)C(=C5C4=O)O)O)C6C(CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O 760.60 unknown https://doi.org/10.1016/S0031-9422(97)00508-6
[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 467319 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O 552.40 unknown https://doi.org/10.1248/CPB.40.1383
6-O-Galloylglucose 128839 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(C(C=O)O)O)O)O 332.26 unknown via CMAUP database
7-[2-carboxy-1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]ethyl]-5-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid 100945367 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C(C(=C3)C(CC(=O)O)C4C(CC5=C(C=C(C=C5O4)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)C(=O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O 902.70 unknown https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.1271/BBB1961.46.1079
Methyl gallate 7428 Click to see COC(=O)C1=CC(=C(C(=C1)O)O)O 184.15 unknown https://doi.org/10.1248/CPB.55.57
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Protocatechuic acid, methyl ester 287064 Click to see COC(=O)C1=CC(=C(C=C1)O)O 168.15 unknown https://doi.org/10.1002/CBDV.200800153
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
https://doi.org/10.1271/BBB1961.50.1039
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol 244 Click to see C1=CC=C(C=C1)CO 108.14 unknown https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
https://doi.org/10.1271/BBB.58.687
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
Benzyl formate 7708 Click to see C1=CC=C(C=C1)COC=O 136.15 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
2-Phenyl-2-butenal 6429333 Click to see CC=C(C=O)C1=CC=CC=C1 146.19 unknown via CMAUP database
Phenylacetaldehyde 998 Click to see C1=CC=C(C=C1)CC=O 120.15 unknown https://doi.org/10.1271/BBB1961.50.1039
> Benzenoids / Benzene and substituted derivatives / Toluenes / Aminotoluenes
o-Toluidine 7242 Click to see CC1=CC=CC=C1N 107.15 unknown https://doi.org/10.1021/JF60201A032
> Benzenoids / Phenanthrenes and derivatives / Chrysenes
Chrysene 9171 Click to see C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43 228.30 unknown https://doi.org/10.1016/J.FOODCHEM.2013.08.121
> Benzenoids / Phenols / Benzenediols / Catechols
4-Methylcatechol 9958 Click to see CC1=CC(=C(C=C1)O)O 124.14 unknown https://doi.org/10.1016/S0731-7085(00)00272-7
> Benzenoids / Phenols / Methoxyphenols
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)- 9984 Click to see COC1=C(C=CC(=C1)C=CC=O)O 178.18 unknown https://doi.org/10.1248/CPB.58.939
4-Hydroxy-3-methoxycinnamaldehyde 5280536 Click to see COC1=C(C=CC(=C1)C=CC=O)O 178.18 unknown https://doi.org/10.1248/CPB.58.939
> Lignans, neolignans and related compounds / Furanoid lignans
1H,3H-Furo[3,4-c]furan-3a(4H)-ol, dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-, (1R,3aS,4S,6aR)- 3010925 Click to see COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O 374.40 unknown via CMAUP database
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol 234817 Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O 358.40 unknown https://doi.org/10.1248/CPB.58.939
8-Hydroxypinoresinol 3010930 Click to see COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O 374.40 unknown via CMAUP database
Epipinoresinol 637584 Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O 358.40 unknown https://doi.org/10.1248/CPB.58.939
Prinsepiol 3010931 Click to see COC1=C(C=CC(=C1)C2C3(COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O)O 390.40 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
Lariciresinol 332427 Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1248/CPB.58.939
Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-furanmethanol 134203 Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1248/CPB.58.939
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Myristic Acid 11005 Click to see CCCCCCCCCCCCCC(=O)O 228.37 unknown https://doi.org/10.1002/JSFA.2740600217
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1002/JSFA.2740600217
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1002/JSFA.2740600217
https://doi.org/10.1248/CPB.58.939
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3R,4S,5S,6R)-2-[(2R)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 163034643 Click to see CCCC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O 382.40 unknown https://doi.org/10.1248/CPB.55.598
(2R,3R,4S,5S,6R)-2-[(2S)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 101995249 Click to see CCCC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O 382.40 unknown https://doi.org/10.1248/CPB.55.598
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-methylbutoxy]oxane-3,4,5-triol 100916135 Click to see CCC(C)COC1C(C(C(C(O1)CO)O)O)O 250.29 unknown https://doi.org/10.1248/CPB.56.1297
(s)-2-pentanol-2-O-beta-d-glucopyranoside 129825789 Click to see CCCC(C)OC1C(C(C(C(O1)CO)O)O)O 250.29 unknown https://doi.org/10.1248/CPB.56.1297
2-(Hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol 72726662 Click to see C1=CC(=CC=C1C=CCOC2C(C(C(C(O2)CO)O)O)O)O 312.31 unknown https://doi.org/10.1248/CPB.56.1297
2-(Hydroxymethyl)-6-pentan-2-yloxyoxane-3,4,5-triol 85280613 Click to see CCCC(C)OC1C(C(C(C(O1)CO)O)O)O 250.29 unknown https://doi.org/10.1248/CPB.56.1297
2-Pentan-2-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol 163034642 Click to see CCCC(C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O 382.40 unknown https://doi.org/10.1248/CPB.55.598
Blumenol B 9-O-glucoside 14135398 Click to see CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C 388.50 unknown https://doi.org/10.1248/CPB.56.1297
icariside B5 14135399 Click to see CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C 388.50 unknown https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1248/CPB.55.293
Sachaliside 14048613 Click to see C1=CC(=CC=C1C=CCOC2C(C(C(C(O2)CO)O)O)O)O 312.31 unknown https://doi.org/10.1248/CPB.56.1297
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Octen-3-OL 18827 Click to see CCCCCC(C=C)O 128.21 unknown https://doi.org/10.1021/JF00034A031
1-Triacontanol 68972 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO 438.80 unknown https://doi.org/10.1002/JSFA.2740430305
2-Ethylhexan-1-ol 7720 Click to see CCCCC(CC)CO 130.23 unknown https://doi.org/10.1021/JF00034A031
2-Nonanol 12367 Click to see CCCCCCCC(C)O 144.25 unknown https://doi.org/10.1021/JF00034A031
3-Octanol 11527 Click to see CCCCCC(CC)O 130.23 unknown https://doi.org/10.1021/JF00034A031
trans-2-Hepten-1-ol 5318017 Click to see CCCCC=CCO 114.19 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1002/JSFA.2740600217
Linolenic Acid 5280934 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1002/JSFA.2740600217
https://doi.org/10.1248/CPB.58.939
Octadeca-9,12,15-trienoic acid 5282822 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1002/JSFA.2740600217
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate 25245750 Click to see CCC=CCC1C(CCC1=O)CC(=O)[O-] 209.26 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
2,3-Dihydroxypropyl hexadecanoate 14900 Click to see CCCCCCCCCCCCCCCC(=O)OCC(CO)O 330.50 unknown https://doi.org/10.1248/CPB.58.939
3-Palmitoyl-sn-glycerol 11359451 Click to see CCCCCCCCCCCCCCCC(=O)OCC(CO)O 330.50 unknown https://doi.org/10.1248/CPB.58.939
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Aconitane-type diterpenoid alkaloids
Delphinine 441726 Click to see CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC)O)OC 599.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1R,2R,6S,10R,11R,13S,14R,15R)-13-acetyloxy-8-formyl-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate 162901456 Click to see CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)C=O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC 521.60 unknown https://doi.org/10.1007/BF02534064
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Citral 638011 Click to see CC(=CCCC(=CC=O)C)C 152.23 unknown via CMAUP database
Geraniol 637566 Click to see CC(=CCCC(=CCO)C)C 154.25 unknown https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.1271/BBB.58.687
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1271/BBB.58.2050
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
https://doi.org/10.1271/BBB.58.687
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown https://doi.org/10.1021/JF00034A031
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown https://doi.org/10.1271/BBB1961.50.1039
alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol 81722 Click to see CC(C)(C1CCC(=C)CC1)O 154.25 unknown via CMAUP database
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1021/JF00034A031
Menthol 1254 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown https://doi.org/10.1021/JF00034A031
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
Vitamin K 5280483 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C 450.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(3R,6E)-nerolidol 11241545 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown https://doi.org/10.1271/BBB1961.50.1039
[(1R,4S,4aR,8aR)-6-formyl-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl] acetate 11065787 Click to see CC(C)C1CCC(C2C1C=C(CC2)C=O)(C)OC(=O)C 278.40 unknown https://doi.org/10.1248/CPB.34.61
2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one 5363876 Click to see CC1=C(C(CCC1=O)(C)C)C=CC(=O)C 206.28 unknown via CMAUP database
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one 118284 Click to see CC1=CC(=O)CC(C1CCC(C)O)(C)C 210.31 unknown https://doi.org/10.1248/CPB.58.939
4-Hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one 71344200 Click to see CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1248/CPB.58.939
4,5-Dihydroblumenol A 21630916 Click to see CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1248/CPB.58.939
9-Epiblumenol B 14135401 Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1248/CPB.58.939
alpha-Cadinol 10398656 Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 unknown via CMAUP database
alpha-IONONE 5282108 Click to see CC1=CCCC(C1C=CC(=O)C)(C)C 192.30 unknown https://doi.org/10.1021/JF00034A031
https://doi.org/10.1271/BBB1961.50.1039
beta-Ionone 638014 Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C 192.30 unknown https://doi.org/10.1271/BBB1961.50.1039
blumenol B 14135402 Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1248/CPB.58.939
Nerolidol 8888 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown https://doi.org/10.1271/BBB1961.50.1039
Ueejdiuocucvhn-pwsuyjocsa- 14135400 Click to see CC1=CC(=O)CC(C1CCC(C)O)(C)C 210.31 unknown https://doi.org/10.1248/CPB.58.939
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
Taraxerol 92097 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
Geranyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside 6443689 Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C 448.50 unknown https://doi.org/10.1016/0031-9422(93)85093-7
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162909705 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1273.40 unknown https://doi.org/10.3987/COM-08-11568
https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16655348 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1289.40 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162948141 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1289.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162923085 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1275.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1021/NP0580614
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2S)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162948139 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1289.40 unknown https://doi.org/10.1248/CPB.55.598
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102473729 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1287.40 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16655346 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1287.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-9-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 101402536 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C=CC1=CC=CC=C1 1305.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16203750 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1259.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163187669 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1307.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16203858 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1259.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16203967 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1307.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102473730 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16203857 Click to see CC(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)OC(=O)C=CC1=CC=CC=C1 1265.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162977342 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 21574285 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1021/NP0580614
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162856973 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1248/CPB.55.293
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,10-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163078142 Click to see CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)O 1221.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162988767 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1275.40 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162988766 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1275.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102466114 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1191.30 unknown https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105312 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1221.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102466115 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1233.30 unknown https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105307 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1263.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162965694 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105313 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1175.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 10486506 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1205.30 unknown https://doi.org/10.1248/CPB.53.1559
https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162888353 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1191.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162976975 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1233.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162965858 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-8,10-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162853304 Click to see CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)O 1189.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163194937 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1189.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162937611 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1189.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162904970 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1189.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(3-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102187255 Click to see CC(C)CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1275.40 unknown https://doi.org/10.3987/COM-06-10704
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162969088 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162957745 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1303.40 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162935595 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.47.1759
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102466135 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162909031 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163193686 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 100999234 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.47.1759
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid 102466113 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O 1099.20 unknown https://doi.org/10.3987/COM-06-10704
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162909032 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102466137 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162956749 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102187258 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.3987/COM-06-10704
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162956750 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102466136 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 10351365 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 10351364 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.47.1759
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105311 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105309 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163048495 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 11722255 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105310 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3R,5R,6S)-5,6-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162999114 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.53.1559
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 11607810 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102187257 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1303.40 unknown https://doi.org/10.3987/COM-06-10704
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 16105314 Click to see CC=C(C)C(=O)OCC12C(CC(CC1O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1173.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 102187256 Click to see CC=C(C)C(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C=O)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(CC(C9)(C)C)O)CO)C 1173.30 unknown https://doi.org/10.3987/COM-06-10704
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-10-[(Z)-but-2-enoyl]oxy-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 44566567 Click to see CC=CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-10-[(Z)-but-2-enoyl]oxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 44566563 Click to see CC=CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162915044 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162984726 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162890119 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9S,14bR)-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162993339 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1173.30 unknown https://doi.org/10.1021/NP058097W
(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-[(Z)-but-2-enoyl]oxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 44566566 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)OC(=O)C=CC 1245.40 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9,10-bis[[(Z)-but-2-enoyl]oxy]-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 44566565 Click to see CC=CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C=CC 1229.40 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162909706 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1273.40 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163070542 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 154497574 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1307.40 unknown https://doi.org/10.1248/CPB.55.293
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163006445 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown https://doi.org/10.1248/CPB.56.1297
(2S,3S,4S,5R,6S)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162863599 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1221.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162904967 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1189.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162981075 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162984727 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162913484 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162932392 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162931976 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.55.57
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163061339 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.55.57
(3beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]-beta-D-glucopyranosiduronic acid 163006446 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1248/CPB.47.1759
(3beta,4alpha,16alpha,21beta,22alpha)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]-beta-D-glucopyranosiduronic acid 100999235 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1021/NP058097W
https://doi.org/10.1248/CPB.47.1759
3beta-[2-O-beta-D-Galactopyranosyl-3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-beta-D-glucopyranuronosyloxy]-22alpha-acetoxy-16alpha,28-dihydroxy-21beta-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]oleana-12-ene-23-one 11686830 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.55.57
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163041492 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1175.30 unknown https://doi.org/10.1248/CPB.55.57
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162932391 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.55.57
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-9-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73128383 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C=CC1=CC=CC=C1 1305.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[[4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 75071975 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1173.30 unknown https://doi.org/10.1021/NP058097W
https://doi.org/10.1248/CPB.47.1759
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[[4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162852698 Click to see CC=C(C)C(=O)OCC12C(CC(CC1O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1173.30 unknown https://doi.org/10.1248/CPB.55.57
4-[4,5-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[[4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163016174 Click to see CC=C(C)C(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C=O)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(CC(C9)(C)C)O)CO)C 1173.30 unknown https://doi.org/10.3987/COM-06-10704
4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 74949933 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1205.30 unknown https://doi.org/10.1021/NP058097W
4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73116080 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1203.30 unknown https://doi.org/10.1248/CPB.47.1759
4-[5,6-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[[4-formyl-8,10-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162853303 Click to see CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)O 1189.30 unknown https://doi.org/10.1248/CPB.53.1559
4-[5,6-Dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[[4-formyl-8,9-dihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162937610 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1189.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[10-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73128280 Click to see CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C=CC1=CC=CC=C1 1265.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
6-[[7,8-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73299074 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1289.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
6-[[7,8-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73025568 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1275.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1021/NP0580614
6-[[7,8-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73299072 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1287.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
6-[[7,8-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73015522 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1273.40 unknown https://doi.org/10.3987/COM-08-11568
https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
https://doi.org/10.1021/NP0580614
6-[[8-Acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73073580 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.55.57
6-[[8-Acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163048494 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8-Acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73027983 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.55.57
6-[[8-Acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162867747 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1303.40 unknown https://doi.org/10.3987/COM-06-10704
6-[[8-Acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162999113 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1273.40 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8,10-Dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163078141 Click to see CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)O 1221.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8,9-Diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 85287431 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.47.1759
6-[[8,9-Diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162969087 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8,9-Diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162957744 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1303.40 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8,9-Diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(3-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162988327 Click to see CC(C)CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1275.40 unknown https://doi.org/10.3987/COM-06-10704
6-[[8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 131751997 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1303.40 unknown https://doi.org/10.1248/CPB.47.1759
6-[[8,9-Diacetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73027985 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1275.40 unknown https://doi.org/10.1021/NP058097W
6-[[8,9-Diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73299106 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.55.598
6-[[8,9-Diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162942542 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1259.40 unknown https://doi.org/10.1248/CPB.55.57
6-[[8,9-Diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73128384 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1307.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
https://doi.org/10.1248/CPB.55.57
6-[[8,9-Dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73037688 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1191.30 unknown https://doi.org/10.1021/NP058097W
6-[[8,9-Dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162863598 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1221.30 unknown https://doi.org/10.1248/CPB.55.57
6-[[8,9-Dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73073578 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.30 unknown https://doi.org/10.1021/NP058097W
6-[[8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid 85084999 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O 1099.20 unknown https://doi.org/10.3987/COM-06-10704
6-[[8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73006311 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.47.1759
https://doi.org/10.1248/CPB.46.1901
6-[[8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162909030 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8a-(Acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162986559 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1248/CPB.53.1559
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73047348 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1233.30 unknown https://doi.org/10.1021/NP058097W
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163021908 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1263.40 unknown https://doi.org/10.1248/CPB.55.57
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73006318 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1021/NP058097W
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73299133 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 85212625 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1248/CPB.47.1759
6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73128279 Click to see CC(=O)OCC12C(CC(C(C1O)OC(=O)C=CC3=CC=CC=C3)(C)C)C4=CCC5C6(CCC(C(C6CCC5(C4(CC2O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)OC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C 1265.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
https://doi.org/10.1248/CPB.55.57
6-[[9-Acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73062177 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.47.1759
https://doi.org/10.1248/CPB.46.1901
6-[[9-Acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73116137 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.3987/COM-06-10704
6-[[9-Acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162956748 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[9-Acetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163070541 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 75071976 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1021/NP058097W
https://doi.org/10.1248/CPB.47.1759
6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162965693 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73027978 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.1021/NP058097W
6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 73299105 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 72998579 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
https://doi.org/10.1021/NP0580614
6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[5,6-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162977341 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(CC(C(O7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1248/CPB.53.1559
6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163033938 Click to see CC(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C)OC(=O)C=CC1=CC=CC=C1 1265.40 unknown https://doi.org/10.1248/CPB.55.57
Assamsaponin A 131751750 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1173.30 unknown https://doi.org/10.1248/CPB.47.1759
Assamsaponin B 131751747 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.47.1759
Assamsaponin C 131751748 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.47.1759
Assamsaponin D 131751749 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1248/CPB.47.1759
Assamsaponin E 131751957 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1217.30 unknown https://doi.org/10.1248/CPB.48.1720
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1248/CPB.47.1759
Assamsaponin G 131751998 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1261.40 unknown https://doi.org/10.1248/CPB.48.1720
https://doi.org/10.1248/CPB.47.1759
Assamsaponin H 131751999 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1248/CPB.48.1720
https://doi.org/10.1248/CPB.47.1759
Assamsaponin I 131752000 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1248/CPB.48.1720
https://doi.org/10.1248/CPB.47.1759
Assamsaponin J 131752002 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(C9OC(=O)C=CC1=CC=CC=C1)OC(=O)C)(C)C)CO)OC(=O)C)C)C)C)C(=O)O)O)O)O)O)O)O 1321.40 unknown https://doi.org/10.1248/CPB.48.1720
assamsaponins A 44566253 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1173.30 unknown https://doi.org/10.1021/NP058097W
assamsaponins D 44566254 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1021/NP058097W
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,15alpha,16alpha,21beta,22alpha)-15,16,28-trihydroxy-23-methoxy-21,22-bis[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl 3-O-alpha-L-arabinopyranosyl-, methyl ester 162955436 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C 1037.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,21beta,22alpha)-22-(acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]- 9920037 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1248/CPB.46.1901
https://doi.org/10.1248/CPB.47.1759
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,21beta,22alpha)-28-(acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]- 100928210 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1248/CPB.46.1901
https://doi.org/10.1248/CPB.47.1759
beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]- 100999233 Click to see CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)CO)(C)C 1173.30 unknown https://doi.org/10.1021/NP058097W
https://doi.org/10.1248/CPB.47.1759
Chakasaponin II 56661893 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1273.40 unknown https://doi.org/10.1016/J.BMC.2011.08.042
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
Chakasaponin III 56675661 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1233.30 unknown https://doi.org/10.1016/J.BMC.2011.08.042
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
Chakasaponins I 56672267 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1217.30 unknown https://doi.org/10.1016/J.BMC.2011.08.042
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
Floratheasaponin A 44566564 Click to see CC=CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1203.30 unknown https://doi.org/10.1248/CPB.56.1297
Floratheasaponin B 21574286 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1273.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1021/NP0580614
Floratheasaponin C 162923086 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1275.40 unknown https://doi.org/10.1248/CPB.55.598
Floratheasaponin D 16655472 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
Floratheasaponin E 157009831 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C(=CC)C 1287.40 unknown https://doi.org/10.1248/CPB.55.598
Floratheasaponin G 16655412 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
Floratheasaponin H 16655413 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC(=O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1273.40 unknown https://doi.org/10.1248/CPB.55.598
Floratheasaponin I 16655471 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.56.1297
Isotheasaponin B1 101402534 Click to see CC(=O)OCC12C(CC(C(C1O)OC(=O)C=CC3=CC=CC=C3)(C)C)C4=CCC5C6(CCC(C(C6CCC5(C4(CC2O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)OC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C 1265.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
https://doi.org/10.1248/CPB.55.57
Isotheasaponin B2 101402535 Click to see CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C=CC1=CC=CC=C1 1265.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.05.025
methyl (2R,3R,4R,5S,6S)-6-[[(3R,4S,4aS,6aS,6bS,7S,8R,8aR,9S,10S,12aS,14aS,14bS)-8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 163189817 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)OC(=O)C)CO)(C)C)OC(=O)C(=CC)C 1081.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2R,3S,4R,5S,6R)-6-[[(3S,4R,4aS,6aS,6bS,7S,8R,8aR,9S,10S,12aS,14aS,14bS)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 162933044 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1039.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bR,7R,8S,8aS,9S,10S,12aR,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 162955435 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C 1037.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate 163189656 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)OC)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1321.40 unknown https://doi.org/10.1271/BBB.58.2036
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 162933043 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1039.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(2R)-2-methylbutanoyl]oxy-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 162902665 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)OC(=O)C)CO)(C)C)OC(=O)C(=CC)C 1081.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 11969009 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C 1037.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate 11969011 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)OC(=O)C)CO)(C)C)OC(=O)C(=CC)C 1081.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
Methyl 6-[[7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate 73157330 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1039.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
Methyl 6-[[7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate 73157329 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C 1037.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
Methyl 6-[[8-acetyloxy-7-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbutanoyloxy)-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate 73157331 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)OC(=O)C)CO)(C)C)OC(=O)C(=CC)C 1081.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
Methyl 6-[[8,9-diacetyloxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(3-phenylprop-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate 162994187 Click to see CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)C(=O)OC)O)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C9C1(C(C(C(C9)(C)C)OC(=O)C=CC1=CC=CC=C1)OC(=O)C)CO)C 1321.40 unknown https://doi.org/10.1271/BBB.58.2036
Theasaponin 11953922 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)C)CO)OC(=O)C 1233.30 unknown via CMAUP database
Theasaponin A5 163021909 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1263.40 unknown https://doi.org/10.1248/CPB.55.57
theasaponins A1 44566250 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1191.30 unknown https://doi.org/10.1021/NP058097W
theasaponins A2 44566251 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1233.30 unknown https://doi.org/10.1021/NP058097W
theasaponins E1 44566256 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)OC(=O)C 1231.30 unknown https://doi.org/10.1021/NP058097W
theasaponins E2 44566257 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1231.30 unknown https://doi.org/10.1021/NP058097W
theasaponins F3 44566252 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O 1261.40 unknown https://doi.org/10.1021/NP058097W
TR-saponin A 56663921 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C 1023.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
TR-saponin B 131751713 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C(=CC)C 1025.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
TR-saponin C 131751714 Click to see CCC(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)O)OC(=O)C)CO)(C)C)OC(=O)C(=CC)C 1067.20 unknown https://doi.org/10.1016/S0031-9422(99)00559-2
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(4R,4aR,6S,7S,7aS)-6-hydroxy-7-(hydroxymethyl)-4-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one 45096715 Click to see CC1COC(=O)C2C1CC(C2CO)O 200.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Xanthanolides
Xanthumin 442335 Click to see CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2 306.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
Beta-Carotene 5280489 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(2R,6S,7aR)-2-[(2Z,4E,6Z,8E,10Z,12E,14Z,16E)-17-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 10257732 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C 584.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(25R)-5alpha-spirostan-3beta,6alpha-diol 52931478 Click to see CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C 448.70 unknown via CMAUP database
(3R,4R,4aR,5R,6aR,6aS,6bR,8aS,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol 162915211 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C 506.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
(3S,4aR,6aR,6bS,7R,8S,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,8,9-tetrol 162957767 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(C(C(C2(C(C1)O)CO)O)O)C)C)(C)C)O)C)C 490.70 unknown https://doi.org/10.1016/0031-9422(90)85184-H
(3S,4S,4aR,6aR,6aS,6bS,8aR,12aR,14S,14aR,14bS)-3,6a,14-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-9,13-dioxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid 46850473 Click to see CC1(CC2C(CCC3(C2(C(=O)C(C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)O)O)C)(C(=O)C1)C)C 518.70 unknown https://doi.org/10.1248/CPB.58.939
(3S,4S,4aS,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde 162988209 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C=O)O)C)C 504.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
(3S,5R,10R,13S,14S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 472759 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol 145706026 Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C 426.70 unknown https://doi.org/10.1007/BF02534064
16beta-Deuterobarringenol A1 435279 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(C(C(C2(C(C1)O)CO)O)O)C)C)(C)C)O)C)C 490.70 unknown https://doi.org/10.1016/0031-9422(90)85184-H
23-Hydroxyursolic Acid 14136881 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C(=O)O 472.70 unknown via CMAUP database
24-Hydroxyursolic acid 44568920 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C(=O)O 472.70 unknown via CMAUP database
3,10,13,14-Tetrahydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-9-oxo-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 75232210 Click to see CC1C(C(C(=O)C2(C1C3=C(C(C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)O)O)C)O)C 518.70 unknown https://doi.org/10.1248/CPB.58.939
3,13-dihydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-9,14-dioxo-2,3,4a,5,6,7,8,10,11,12,12a,14a-dodecahydro-1H-picene-4-carboxylic acid 75232211 Click to see CC1CC(=O)C2(CCC3(C(=C(C(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)O)C2C1C)C)C 500.70 unknown https://doi.org/10.1248/CPB.58.939
3,6a,14-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-9,13-dioxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid 75232148 Click to see CC1(CC2C(CCC3(C2(C(=O)C(C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)O)O)C)(C(=O)C1)C)C 518.70 unknown https://doi.org/10.1248/CPB.58.939
alpha-Amyrin 73170 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
Beta-Amyrin 73145 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
beta-Ursolic acid 220774 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown https://doi.org/10.1248/CPB.58.939
Betulin 72326 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown via CMAUP database
Betulinic Acid 64971 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown via CMAUP database
Camelliagenin B 12302285 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C=O)O)C)C 488.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
Camelliagenin C 12302286 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C 490.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
Camellidin I 441911 Click to see CC(=O)OC12CC(CCC1C(=O)CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)(C)C 1147.30 unknown via CMAUP database
Camellisin A 46850615 Click to see CC1C(C(C(=O)C2(C1C3=C(C(C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)O)O)C)O)C 518.70 unknown https://doi.org/10.1248/CPB.58.939
Camellisin B 46850616 Click to see CC1CC(=O)C2(CCC3(C(=C(C(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)O)C2C1C)C)C 500.70 unknown https://doi.org/10.1248/CPB.58.939
Dihydropriverogenin A 12302281 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)C)O)C)C 474.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
Lanosta-8,24-dien-3-ol 856 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
Lanosterol 246983 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
Oleanolic Acid 10494 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown via CMAUP database
Parkeol 12313974 Click to see CC(CCC=C(C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
Theasapogenol B 185465 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)O)C)C 490.70 unknown https://doi.org/10.1016/S0040-4039(00)90650-6
Ursolic Acid 64945 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown https://doi.org/10.1248/CPB.58.939
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Tetrahydroxy bile acids, alcohols and derivatives
Castasterone 133534 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O 464.70 unknown https://doi.org/10.1007/BF01963116
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Trihydroxy bile acids, alcohols and derivatives
(3S,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 23724583 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O 448.70 unknown https://doi.org/10.1271/BBB1961.48.2171
Teasterone 13475125 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O 448.70 unknown https://doi.org/10.1271/BBB1961.48.2171
Typhasterol 13475120 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O 448.70 unknown https://doi.org/10.1271/BBB1961.48.2171
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
Cycloartenol 92110 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 426.70 unknown https://doi.org/10.1007/BF02534064
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
7,22-Ergostadienol 5319548 Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C 398.70 unknown via CMAUP database
Ergosta-5,7-dien-3beta-ol 5326970 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C 398.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate 25180961 Click to see CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C 360.50 unknown https://doi.org/10.1016/S0031-9422(00)00359-9
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Brassinolides and derivatives
Brassinolide 115196 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O 480.70 unknown https://doi.org/10.1023/B:GROW.0000040118.68011.6A
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14S,15R,17R)-15-hydroxy-10,13-dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 101427855 Click to see CC(C1CCCCCN1C)C2CC(C3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O 591.80 unknown https://doi.org/10.1080/1071576021000006707
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 44255232 Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC 1097.20 unknown https://doi.org/10.1016/S0031-9422(00)00359-9
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 162944261 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 574.80 unknown https://doi.org/10.1016/S0378-8741(97)00069-X
(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 162958779 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/S0378-8741(97)00069-X
(5S,9S,10S,13R,14R)-17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 137706369 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/0031-9422(90)85184-H
17-(5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 543613 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C 410.70 unknown https://doi.org/10.1248/CPB.58.939
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 521229 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/0031-9422(90)85184-H
https://doi.org/10.1016/S0378-8741(97)00069-X
https://doi.org/10.1248/CPB.58.939
2-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 73157301 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 574.80 unknown https://doi.org/10.1016/0031-9422(90)85184-H
https://doi.org/10.1016/S0378-8741(97)00069-X
alpha-Spinasterin 5281331 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/0031-9422(90)85184-H
alpha-Spinasterol glucoside 12960505 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 574.80 unknown https://doi.org/10.1016/0031-9422(90)85184-H
alpha-Spinasterone 21159864 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C 410.70 unknown https://doi.org/10.1248/CPB.58.939
Chondrillasterol 5283663 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1248/CPB.58.939
Schottenol 3-glucoside 12960489 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/0031-9422(90)85184-H
Schottenol glucoside 124879 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/0031-9422(90)85184-H
> Nucleosides, nucleotides, and analogues / Purine nucleosides
9-beta-D-Ribofuranosylxanthine 1189 Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O 284.23 unknown https://doi.org/10.1093/PCP/PCQ175
Xanthosine 64959 Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O 284.23 unknown https://doi.org/10.1093/PCP/PCQ175
> Organic acids and derivatives / Carboximidic acids and derivatives / Carboximidic acids
N-Ethylacetamide 12253 Click to see CCNC(=O)C 87.12 unknown https://doi.org/10.1021/JF60201A032
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamine and derivatives
2-Amino-5-(ethylamino)-5-oxopentanoic acid 228398 Click to see CCNC(=O)CCC(C(=O)O)N 174.20 unknown https://doi.org/10.1016/S0021-9673(97)01069-8
https://doi.org/10.1248/CPB.55.293
https://doi.org/10.1111/J.1365-2621.2000.TB15951.X
https://doi.org/10.1002/JSFA.2740370604
https://doi.org/10.1271/BBB1961.49.2913
https://doi.org/10.1271/BBB.59.2134
https://doi.org/10.1016/0031-9422(90)85184-H
https://doi.org/10.1271/BBB.58.1519
https://doi.org/10.1271/NOGEIKAGAKU1924.58.1131
https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1271/BBB1961.54.2283
https://doi.org/10.1271/BBB.56.1179
https://doi.org/10.1248/CPB.55.57
2-Azaniumyl-5-(ethylamino)-5-oxopentanoate 25201101 Click to see CCNC(=O)CCC(C(=O)[O-])[NH3+] 174.20 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
(2S)-2-azaniumyl-4-(dimethylsulfaniumyl)butanoate 7098638 Click to see C[S+](C)CCC(C(=O)[O-])[NH3+] 164.25 unknown via CMAUP database
Methylmethionine sulfonium chloride 16217806 Click to see C[S+](C)CCC(C(=O)O)N.[Cl-] 199.70 unknown via CMAUP database
Methylmethionine, DL- 10176270 Click to see C[S+](C)CCC(C(=O)[O-])N 163.24 unknown https://doi.org/10.1271/BBB1961.48.2471
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid amides / Secondary carboxylic acid amides
N-Ethylpropionamide 521324 Click to see CCC(=O)NCC 101.15 unknown https://doi.org/10.1021/JF60201A032
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl lactate 7344 Click to see CCOC(=O)C(C)O 118.13 unknown https://doi.org/10.1021/JF00034A031
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Malonic acid 867 Click to see C(C(=O)O)C(=O)O 104.06 unknown https://doi.org/10.1016/S0021-9673(96)00910-7
Succinic Acid 1110 Click to see C(CC(=O)O)C(=O)O 118.09 unknown https://doi.org/10.1016/S0021-9673(96)00910-7
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
Citric Acid 311 Click to see C(C(=O)O)C(CC(=O)O)(C(=O)O)O 192.12 unknown https://doi.org/10.1016/S0021-9673(96)00910-7
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
Ethyl 3-hydroxybutyrate 62572 Click to see CCOC(=O)CC(C)O 132.16 unknown https://doi.org/10.1021/JF00034A031
Malic Acid 525 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown https://doi.org/10.1016/S0021-9673(96)00910-7
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
Methyl 4-oxononanoate 5319748 Click to see CCCCCC(=O)CCC(=O)OC 186.25 unknown via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Aralkylamines / Phenylalkylamines
N-Ethylaniline 7670 Click to see CCNC1=CC=CC=C1 121.18 unknown https://doi.org/10.1021/JF60201A032
N-Methylaniline 7515 Click to see CNC1=CC=CC=C1 107.15 unknown https://doi.org/10.1021/JF60201A032
> Organic oxygen compounds / Organic oxides
beta-Cyclocitral 9895 Click to see CC1=C(C(CCC1)(C)C)C=O 152.23 unknown https://doi.org/10.1271/BBB1961.50.1039
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1R,4S)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid 460894 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O 344.27 unknown https://doi.org/10.1002/MNFR.200400064
3-p-Coumaroylquinic acid 9945785 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O 338.31 unknown https://doi.org/10.1080/1071576021000006707
4-p-Coumaroylquinic acid 5281766 Click to see C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O 338.31 unknown https://doi.org/10.1080/1071576021000006707
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1002/MNFR.200400064
https://doi.org/10.1271/BBB1961.46.1079
https://doi.org/10.1080/1071576021000006707
Chlorogensaure 12310830 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
Neochlorogenic acid 5280633 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1080/1071576021000006707
https://doi.org/10.1002/MNFR.200400064
Quinic acid 6508 Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 unknown https://doi.org/10.1080/00021369.1986.10867675
Theogallin 442988 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O 344.27 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1002/MNFR.200400064
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1271/BBB1961.46.1079
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Pentanol 6276 Click to see CCCCCO 88.15 unknown https://doi.org/10.1271/BBB1961.50.1039
2-Methyl-1-butanol 8723 Click to see CCC(C)CO 88.15 unknown https://doi.org/10.1248/CPB.56.1297
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
1-Hexen-3-OL 20928 Click to see CCCC(C=C)O 100.16 unknown https://doi.org/10.1021/JF00034A031
1-Penten-3-OL 12020 Click to see CCC(C=C)O 86.13 unknown https://doi.org/10.1021/JF00034A031
https://doi.org/10.1271/BBB1961.50.1039
2-Hexanol 12297 Click to see CCCCC(C)O 102.17 unknown https://doi.org/10.1021/JF00034A031
2-Pentanol 22386 Click to see CCCC(C)O 88.15 unknown https://doi.org/10.1248/CPB.55.598
3-Methyl-2-pentanol 11261 Click to see CCC(C)C(C)O 102.17 unknown https://doi.org/10.1021/JF00034A031
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Inositol 892 Click to see C1(C(C(C(C(C1O)O)O)O)O)O 180.16 unknown https://doi.org/10.1080/00021369.1987.10868263
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
CID 103850 103850 Click to see CC(=C)C=CCC(C)(C=C)O 152.23 unknown via CMAUP database
Linalool, oxide 102611 Click to see CC(=CCCC(C)(C1CO1)O)C 170.25 unknown https://doi.org/10.1021/BK-1993-0525.CH013
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside 576072 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1271/BBB.62.2052
Prunasin 119033 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1271/BBB.62.2052
Sambunigrin 91434 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O 295.29 unknown https://doi.org/10.1271/BBB.62.2052
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(2R,3R,4S,5S,6R)-2-[(1S)-1-phenylethoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 102282240 Click to see CC(C1=CC=CC=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O 416.40 unknown https://doi.org/10.3987/COM-08-11568
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-1-phenylethoxy]oxane-3,4,5-triol 10934958 Click to see CC(C1=CC=CC=C1)OC2C(C(C(C(O2)CO)O)O)O 284.30 unknown https://doi.org/10.1248/CPB.56.1297
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S)-1-phenylethoxy]oxane-3,4,5-triol 101917177 Click to see CC(C1=CC=CC=C1)OC2C(C(C(C(O2)CO)O)O)O 284.30 unknown https://doi.org/10.1002/CBDV.200800153
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-2-phenylethoxy]oxane-3,4,5-triol 163075806 Click to see C1=CC=C(C=C1)C(COC2C(C(C(C(O2)CO)O)O)O)O 300.30 unknown https://doi.org/10.1248/CPB.56.1297
(3S,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol 24802025 Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O 342.30 unknown via CMAUP database
2-(1-Phenylethoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol 73814829 Click to see CC(C1=CC=CC=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O 416.40 unknown https://doi.org/10.3987/COM-08-11568
2-(Hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol 73802858 Click to see CC(C1=CC=CC=C1)OC2C(C(C(C(O2)CO)O)O)O 284.30 unknown https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
2-(Hydroxymethyl)-6-(2-hydroxy-2-phenylethoxy)oxane-3,4,5-triol 163075805 Click to see C1=CC=C(C=C1)C(COC2C(C(C(C(O2)CO)O)O)O)O 300.30 unknown https://doi.org/10.1248/CPB.56.1297
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol 4984739 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1002/CBDV.200800153
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol 14079044 Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O 402.40 unknown https://doi.org/10.1248/CPB.55.57
2-o-(beta-l-Arabinopyranosyl)-myo-inositol 13847519 Click to see C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O 312.27 unknown https://doi.org/10.1271/BBB1961.53.2975
2-O-beta-L-Arabinopyranosyl-myo-inositol 4188678 Click to see C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O 312.27 unknown https://doi.org/10.1080/00021369.1989.10869755
2-Phenylethyl beta-primeveroside 131129 Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O 416.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.55.57
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
Benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside 14730864 Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O 402.40 unknown https://doi.org/10.1248/CPB.55.57
Benzyl beta-d-glucopyranoside 188977 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1271/BBB1961.55.1205
https://doi.org/10.1002/CBDV.200800153
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1248/CPB.55.57
Benzyl beta-primeveroside 131248 Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O 402.40 unknown https://doi.org/10.1248/CPB.55.57
beta-D-Galactopyranoside, phenylmethyl 11032917 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown https://doi.org/10.1248/CPB.55.293
Icariside F2 14079045 Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O 402.40 unknown https://doi.org/10.1248/CPB.55.57
Phenylethyl primeveroside 14704521 Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O 416.40 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1248/CPB.55.57
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5315597 Click to see C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O 434.40 unknown via CMAUP database
2-(Hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol 346 Click to see C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O 272.25 unknown https://doi.org/10.1080/009841096161915
5-Hydroxy-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 73241921 Click to see CC1=CC(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O 354.31 unknown https://doi.org/10.1248/CPB.56.1297
Lavandoside 13916049 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O 356.32 unknown https://doi.org/10.1248/CPB.56.1297
Undulatoside A 5321494 Click to see CC1=CC(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O 354.31 unknown https://doi.org/10.1248/CPB.56.1297
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
5-Hydroxy-4-octanone 219794 Click to see CCCC(C(=O)CCC)O 144.21 unknown https://doi.org/10.1021/JF00034A031
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses
6-Galloylglucose 129633581 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)C(C(C(C(C(C=O)O)O)O)O)O 332.26 unknown https://doi.org/10.1021/JF800878M
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
DL-Tartaric acid 875 Click to see C(C(C(=O)O)O)(C(=O)O)O 150.09 unknown https://doi.org/10.1016/S0021-9673(96)00910-7
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins
2,6,6-Trimethyl-2-hydroxycyclohexanone 101115 Click to see CC1(CCCC(C1=O)(C)O)C 156.22 unknown via CMAUP database
Acetoin 179 Click to see CC(C(=O)C)O 88.11 unknown https://doi.org/10.1021/JF00034A031
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Pyrrole-2-carboxaldehyde 13854 Click to see C1=CNC(=C1)C=O 95.10 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Heptenal 5283316 Click to see CCCCC=CC=O 112.17 unknown via CMAUP database
3-Heptenal 5283317 Click to see CCCC=CCC=O 112.17 unknown via CMAUP database
3,7-Dimethyloct-7-enal 101628 Click to see CC(CCCC(=C)C)CC=O 154.25 unknown via CMAUP database
Heptanal 8130 Click to see CCCCCCC=O 114.19 unknown https://doi.org/10.1271/BBB1961.50.1039
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown https://doi.org/10.1271/BBB1961.50.1039
Nonanal 31289 Click to see CCCCCCCCC=O 142.24 unknown https://doi.org/10.1271/BBB1961.50.1039
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
2-Acetylpyridine 14286 Click to see CC(=O)C1=CC=CC=N1 121.14 unknown https://doi.org/10.1021/JF60201A032
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
Salicyl-3,4,5,6-d4-aldehyde-d 517401 Click to see C1=CC=C(C(=C1)C=O)O 127.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(E)-jasmone 1549019 Click to see CCC=CCC1=C(CCC1=O)C 164.24 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(2r,5s)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one 11830646 Click to see CC1CCC2(O1)C(=CC(=O)CC2(C)C)C 208.30 unknown via CMAUP database
Mycosporulone 10443518 Click to see CC1C=CC(=O)C(C12C(=O)C(=C)OC2=O)O 222.19 unknown https://doi.org/10.1080/00021369.1989.10869755
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(2,4-Dimethylphenyl)propan-1-one 583762 Click to see CCC(=O)C1=C(C=C(C=C1)C)C 162.23 unknown https://doi.org/10.1021/JF60201A032
1-(4-Ethylphenyl)propan-1-one 583750 Click to see CCC1=CC=C(C=C1)C(=O)CC 162.23 unknown https://doi.org/10.1021/JF60201A032
1-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone 163047550 Click to see C1=CC=C(C=C1)C(=O)COC2C(C(C(C(O2)CO)O)O)O 298.29 unknown https://doi.org/10.1248/CPB.56.1297
1-Phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone 163047549 Click to see C1=CC=C(C=C1)C(=O)COC2C(C(C(C(O2)CO)O)O)O 298.29 unknown https://doi.org/10.1248/CPB.56.1297
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone 75142 Click to see COC1=C(C=CC(=C1)C(=O)CCO)O 196.20 unknown https://doi.org/10.1248/CPB.58.939
4'-Ethylacetophenone 13642 Click to see CCC1=CC=C(C=C1)C(=O)C 148.20 unknown https://doi.org/10.1021/JF60201A032
Acetophenone 7410 Click to see CC(=O)C1=CC=CC=C1 120.15 unknown https://doi.org/10.2503/JJSHS.58.429
https://doi.org/10.1021/BK-1993-0525.CH013
Chakanoside I 91412699 Click to see C1=CC=C(C=C1)C(=O)COC2C(C(C(C(O2)CO)O)O)O 298.29 unknown https://doi.org/10.1248/CPB.56.1297
Flavaspidic acid 8237 Click to see CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O 446.50 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Alkyl aryl ethers
3-Methoxypyridine 23719 Click to see COC1=CN=CC=C1 109.13 unknown https://doi.org/10.1021/JF60201A032
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
Heptane, 1-ethoxy- 519677 Click to see CCCCCCCOCC 144.25 unknown via CMAUP database
> Organoheterocyclic compounds / Azoles / Thiazoles
5-Methylthiazole 137980 Click to see CC1=CN=CS1 99.16 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
2,3,4,5-tetrahydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one 21637544 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)O)O)O 400.30 unknown https://doi.org/10.1248/CPB.34.61
> Organoheterocyclic compounds / Benzothiazoles
2-Methylbenzothiazole 8446 Click to see CC1=NC2=CC=CC=C2S1 149.21 unknown https://doi.org/10.1021/JF60201A032
Benzothiazole 7222 Click to see C1=CC=C2C(=C1)N=CS2 135.19 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Benzoxazoles
Benzoxazole 9228 Click to see C1=CC=C2C(=C1)N=CO2 119.12 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Diazines / Pyrazines
2-Ethyl-5-methylpyrazine 25915 Click to see CCC1=NC=C(N=C1)C 122.17 unknown https://doi.org/10.1021/JF60201A032
2-Ethyl-6-methylpyrazine 26332 Click to see CCC1=NC(=CN=C1)C 122.17 unknown https://doi.org/10.1021/JF60201A032
2-Ethylpyrazine 26331 Click to see CCC1=NC=CN=C1 108.14 unknown https://doi.org/10.1021/JF60201A032
2-Methylpyrazine 7976 Click to see CC1=NC=CN=C1 94.11 unknown https://doi.org/10.1021/JF60201A032
2,3,5-Trimethylpyrazine 26808 Click to see CC1=CN=C(C(=N1)C)C 122.17 unknown https://doi.org/10.1021/JF60201A032
2,3,5,6-Tetramethylpyrazine 14296 Click to see CC1=C(N=C(C(=N1)C)C)C 136.19 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid 54670067 Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O 176.12 unknown https://doi.org/10.1016/S0021-9673(97)01069-8
https://doi.org/10.1002/PTR.843
https://doi.org/10.1016/S0021-9673(96)00910-7
https://doi.org/10.1093/MUTAGE/11.1.37
D-ascorbic acid 54690394 Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O 176.12 unknown via CMAUP database
> Organoheterocyclic compounds / Furopyrans
Tetrahydroaplysulphurin-1 23247763 Click to see CC1C2=C(CCC3C2C(OC3OC(=O)C)OC1=O)C4(CCCC(C4)(C)C)C 376.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
https://doi.org/10.1016/J.BMC.2012.02.002
> Organoheterocyclic compounds / Heteroaromatic compounds
(Z)-1-(2-Furyl)-4-(2-thienyl)-1-buten-3-yne 5317432 Click to see C1=COC(=C1)C=CC#CC2=CC=CS2 200.26 unknown via CMAUP database
Furfuryl alcohol 7361 Click to see C1=COC(=C1)CO 98.10 unknown via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / 6-oxopurines
Liberine 46926249 Click to see CN1C2=C(C(=O)N(C(=N2)OC)C)NC1=O 210.19 unknown https://doi.org/10.1016/S0031-9422(02)00086-9
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
3,7-di((113C)methyl)purine-2,6-dione 9989875 Click to see CN1C=NC2=C1C(=O)NC(=O)N2C 182.15 unknown via CMAUP database
Caffeine 2519 Click to see CN1C=NC2=C1C(=O)N(C(=O)N2C)C 194.19 unknown https://doi.org/10.1248/CPB.55.598
https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.1093/OXFORDJOURNALS.AOB.A087038
https://doi.org/10.1271/BBB1961.46.1079
https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1016/S0021-9673(97)01069-8
https://doi.org/10.1007/BF00579846
https://doi.org/10.1007/PL00013902
https://doi.org/10.1016/S0014-5793(03)01213-4
https://doi.org/10.1016/S0031-9422(00)83024-1
https://doi.org/10.1021/JF980223X
https://doi.org/10.1016/S0031-9422(97)01087-X
https://doi.org/10.1016/0308-8146(92)90033-X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
https://doi.org/10.1016/S0021-9673(97)00906-0
https://doi.org/10.1016/S0021-9673(01)01360-7
https://doi.org/10.1097/00001813-199606000-00011
https://doi.org/10.1246/CL.1988.1755
https://doi.org/10.1271/BBB.59.2134
https://doi.org/10.1016/J.BMC.2012.02.002
https://doi.org/10.1093/MUTAGE/11.1.37
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1248/CPB.32.2011
https://doi.org/10.1016/0378-8741(86)90110-8
https://doi.org/10.1515/ZNC-1995-9-1002
https://doi.org/10.1016/0021-9673(96)00456-6
https://doi.org/10.1016/S0165-1161(96)90262-9
https://doi.org/10.1016/0031-9422(90)85266-I
https://doi.org/10.1081/JLC-120003036
https://doi.org/10.1177/1934578X0800300907
https://doi.org/10.1034/J.1399-3054.1996.980325.X
https://doi.org/10.1248/YAKUSHI1947.111.12_790
https://doi.org/10.1271/BBB1961.49.2803
https://doi.org/10.1271/NOGEIKAGAKU1924.58.1131
https://doi.org/10.1271/BBB1961.49.251
https://doi.org/10.1016/S0031-9422(98)00610-4
https://doi.org/10.1007/BF00580101
https://doi.org/10.1271/BBB.61.1901
https://doi.org/10.1016/0031-9422(90)85184-H
https://doi.org/10.1271/BBB.56.499
https://doi.org/10.1016/0031-9422(91)83622-R
https://doi.org/10.1016/S0031-9422(00)89724-1
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1016/S0014-5793(01)02512-1
https://doi.org/10.1248/CPB.55.57
https://doi.org/10.2741/1367
https://doi.org/10.1093/OXFORDJOURNALS.PCP.A029184
https://doi.org/10.1039/A909219F
https://doi.org/10.1002/PTR.2650050512
Theobromine 5429 Click to see CN1C=NC2=C1C(=O)NC(=O)N2C 180.16 unknown https://doi.org/10.1093/OXFORDJOURNALS.AOB.A087038
https://doi.org/10.1093/OXFORDJOURNALS.PCP.A029184
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
https://doi.org/10.1021/JF980223X
https://doi.org/10.1016/0031-9422(90)85184-H
https://doi.org/10.1271/BBB1961.49.2803
https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1111/J.1365-2621.1983.TB14888.X
https://doi.org/10.1081/JLC-120003036
https://doi.org/10.1271/BBB.56.499
https://doi.org/10.1271/NOGEIKAGAKU1924.58.1131
https://doi.org/10.1016/S0031-9422(97)01087-X
https://doi.org/10.1016/0031-9422(90)85266-I
Theophylline 2153 Click to see CN1C2=C(C(=O)N(C1=O)C)NC=N2 180.16 unknown https://doi.org/10.1016/S0304-4165(97)00045-7
https://doi.org/10.1007/BF00580101
https://doi.org/10.1021/JF980223X
Xanthine 1188 Click to see C1=NC2=C(N1)C(=O)NC(=O)N2 152.11 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives
hydron;1H-indole 22035206 Click to see [H+].C1=CC=C2C(=C1)C=CN2 118.16 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
Indole 798 Click to see C1=CC=C2C(=C1)C=CN2 117.15 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5R)-5-[(Z)-hex-4-en-2-ynyl]oxolan-2-one 162852891 Click to see CC=CC#CCC1CCC(=O)O1 164.20 unknown https://doi.org/10.1080/1071576021000006707
> Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones
Ventiloquinone K 44584756 Click to see CC1CC2=C(C(O1)C)C(=C3C(=C2OC)C(=C(C(=O)C3=O)OC)O)O 334.30 unknown https://doi.org/10.1021/JF00034A031
> Organoheterocyclic compounds / Pyridines and derivatives
2-Ethylpyridine 7523 Click to see CCC1=CC=CC=N1 107.15 unknown https://doi.org/10.1021/JF60201A032
3-Butylpyridine 10874 Click to see CCCCC1=CN=CC=C1 135.21 unknown https://doi.org/10.1021/JF60201A032
3-Ethylpyridine 10823 Click to see CCC1=CN=CC=C1 107.15 unknown https://doi.org/10.1021/JF60201A032
4-Vinylpyridine 7502 Click to see C=CC1=CC=NC=C1 105.14 unknown https://doi.org/10.1021/JF60201A032
Pyridine 1049 Click to see C1=CC=NC=C1 79.10 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Pyridines and derivatives / Methylpyridines
2-Ethyl-6-methylpyridine 14287 Click to see CCC1=CC=CC(=N1)C 121.18 unknown https://doi.org/10.1021/JF60201A032
2-Methylpyridine 7975 Click to see CC1=CC=CC=N1 93.13 unknown https://doi.org/10.1021/JF60201A032
5-Ethyl-2-methylpyridine 7728 Click to see CCC1=CN=C(C=C1)C 121.18 unknown https://doi.org/10.1021/JF60201A032
beta-PICOLINE 7970 Click to see CC1=CN=CC=C1 93.13 unknown https://doi.org/10.1021/JF60201A032
Picoline, gamma 7963 Click to see CC1=CC=NC=C1 93.13 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Pyridines and derivatives / Phenylpyridines
2-Phenylpyridine 13887 Click to see C1=CC=C(C=C1)C2=CC=CC=N2 155.20 unknown https://doi.org/10.1021/JF60201A032
3-Phenylpyridine 13886 Click to see C1=CC=C(C=C1)C2=CN=CC=C2 155.20 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic acid 938 Click to see C1=CC(=CN=C1)C(=O)O 123.11 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyrrolidinylpyridines
3-(1-Methylpyrrolidin-2-yl)pyridine 942 Click to see CN1CCCC1C2=CN=CC=C2 162.23 unknown https://doi.org/10.1016/0278-6915(91)90109-K
> Organoheterocyclic compounds / Pyrrolidines
Pyrrolidine 31268 Click to see C1CCNC1 71.12 unknown via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives
2-Methylquinoline 7060 Click to see CC1=NC2=CC=CC=C2C=C1 143.18 unknown https://doi.org/10.1021/JF60201A032
4-Butylquinoline 14641784 Click to see CCCCC1=CC=NC2=CC=CC=C12 185.26 unknown https://doi.org/10.1021/JF60201A032
6-Methylquinoline 7059 Click to see CC1=CC2=C(C=C1)N=CC=C2 143.18 unknown https://doi.org/10.1021/JF60201A032
Quinoline, 3-propyl- 146545 Click to see CCCC1=CC2=CC=CC=C2N=C1 171.24 unknown https://doi.org/10.1021/JF60201A032
> Organoheterocyclic compounds / Tetrapyrroles and derivatives
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate 137290023 Click to see CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C 885.20 unknown https://doi.org/10.1016/S0304-3835(98)00113-X
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate 136706892 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C 871.20 unknown https://doi.org/10.1016/S0304-3835(98)00113-X
Pheophorbide a 253193 Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C 592.70 unknown https://doi.org/10.1271/BBB.62.1660
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Chlorins
3-[(3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid 5323510 Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)O)C)C)C=C)C 592.70 unknown https://doi.org/10.1271/BBB.62.1660
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaene-3-carboxylate 6602299 Click to see CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C=O)N2)N6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C 885.20 unknown https://doi.org/10.1016/S0304-3835(98)00113-X
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate 5459387 Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C 871.20 unknown https://doi.org/10.1016/S0304-3835(98)00113-X
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(+)-Balanophonin 23252258 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O 356.40 unknown https://doi.org/10.1248/CPB.58.939
(+/-)-Balanophonin 72729357 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O 356.40 unknown https://doi.org/10.1248/CPB.58.939
(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol 21581534 Click to see COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC 360.40 unknown https://doi.org/10.1248/CPB.58.939
CID 73805058 73805058 Click to see COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC 360.40 unknown https://doi.org/10.1248/CPB.58.939
Egonol 485186 Click to see COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCO 326.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl- 8784 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1248/CPB.55.598
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1248/CPB.55.598
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Hydroxycinnamic acid glycosides
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 72983454 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O 356.32 unknown https://doi.org/10.1248/CPB.56.1297
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxyphenyl)prop-2-enoate 72727649 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O 326.30 unknown https://doi.org/10.1248/CPB.56.1297
1-O-(4-Coumaroyl)-beta-D-glucose 14158117 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O 326.30 unknown https://doi.org/10.1248/CPB.56.1297
1-O-feruloyl-beta-D-glucose 13962928 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O 356.32 unknown https://doi.org/10.1248/CPB.56.1297
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid 709 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown via CMAUP database
4-Hydroxycinnamic acid 322 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1080/1071576021000006707
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1080/1071576021000006707
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Umbelliferone 5281426 Click to see C1=CC(=CC2=C1C=CC(=O)O2)O 162.14 unknown https://doi.org/10.1007/BF00568233
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(-)-Epicatechin-(4alpha->8)-(-)-epicatechin 11399041 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.77
(-)-Epicatechin-(4beta->8)-(+)-gallocatechin 21769546 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O 594.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
(+)-Catechin-(4alpha->8)-(-)-epigallocatechin 11699925 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O 594.50 unknown https://doi.org/10.1248/CPB.37.77
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol 5320711 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1248/CPB.37.77
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate 467307 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O 762.60 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1248/CPB.37.77
https://doi.org/10.1248/CPB.40.1383
[2-(3,4-dihydroxyphenyl)-8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 14520965 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 898.70 unknown https://doi.org/10.1080/10575630008041237
1,1'-[(2R,2'R,3R,3'R,4R)-2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[4,8'-bi-2H-1-benzopyran]-3,3'-diyl] bis(3,4,5-trihydroxybenzoate) 102241853 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 866.70 unknown https://doi.org/10.1080/10575630008041237
3,3'-Digalloylprocyanidin B2 124016 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 882.70 unknown https://doi.org/10.1080/10575630008041237
Endotelon 130556 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.77
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3,3'-digallate 12795893 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 882.70 unknown https://doi.org/10.1080/10575630008041237
Epiafzelechin-(4b->8)-epicatechin 3,3'-digallate 131752746 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 866.70 unknown https://doi.org/10.1080/10575630008041237
Epicatechin-(4beta->8)-gallocatechin 14284599 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O 594.50 unknown https://doi.org/10.1248/CPB.37.77
Epigallocatechin-(4beta->8)-catechin 13831061 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 594.50 unknown https://doi.org/10.1248/CPB.37.77
Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate 56652955 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 898.70 unknown https://doi.org/10.1080/10575630008041237
Gallocatechin-(4alpha->8)-epicatechin 11527214 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 594.50 unknown https://doi.org/10.1248/CPB.37.77
Gallocatechin-(4alpha->8)-epigallocatechin 442682 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O 610.50 unknown https://doi.org/10.1248/CPB.37.77
Procyanidin B1 11250133 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1016/J.FOODRES.2004.10.005
procyanidin B1 3-O-gallate 12795888 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O 730.60 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
Procyanidin B2, (+)- 122738 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1248/CPB.37.77
https://doi.org/10.1016/J.FOODRES.2004.10.005
Procyanidin B3 146798 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1248/CPB.37.77
Procyanidin B4 147299 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1248/CPB.37.77
Procyanidin C1 169853 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1248/CPB.37.77
Prodelphinidin B 5089687 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O 610.50 unknown https://doi.org/10.1248/CPB.37.77
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(+/-)-Epicatechin 255538 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
[(2R,3R)-2-[1,2-dihydroxy-9-oxo-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5,6,7,8-tetrahydrobenzo[7]annulen-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 71307578 Click to see C1CC(=O)C2=C(CC1C3C(CC4=C(C=C(C=C4O3)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)C(=CC(=C2O)O)C6C(CC7=C(C=C(C=C7O6)O)O)O 704.60 unknown https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1248/CPB.34.61
https://doi.org/10.1016/S0014-2999(98)00953-4
https://doi.org/10.1248/CPB.40.1383
[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 4657307 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O 716.60 unknown https://doi.org/10.1016/J.FOODCHEM.2005.10.030
1-[(2S,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one 4263901 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O 564.50 unknown https://doi.org/10.1248/BPB.B16-00284
https://doi.org/10.1016/J.FOODCHEM.2005.10.030
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 1203 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1016/J.BMC.2012.02.002
https://doi.org/10.1248/CPB.37.77
https://doi.org/10.1002/CBDV.200800153
https://doi.org/10.1248/CPB.55.57
https://doi.org/10.1021/NP0580614
https://doi.org/10.1248/CPB.56.1297
https://doi.org/10.1016/J.FOODCHEM.2005.10.030
3,4,5-trihydroxy-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2S,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one 101324904 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O 564.50 unknown via CMAUP database
3,4,6-trihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-5-one 136453467 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O 564.50 unknown https://doi.org/10.1016/S0014-2999(98)00953-4
https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1093/CARCIN/18.12.2361
https://doi.org/10.1016/0165-7992(94)90041-8
https://doi.org/10.1016/S0165-1161(96)90262-9
https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.1271/BBB.57.123
https://doi.org/10.1002/MRC.1260330709
https://doi.org/10.7883/YOKEN1952.44.181
https://doi.org/10.1016/0378-8741(95)90039-X
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1248/CPB.34.61
https://doi.org/10.1271/BBB1961.46.1079
5H-Benzocyclohepten-5-one, 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy- 114777 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O 564.50 unknown https://doi.org/10.7883/YOKEN1952.44.181
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1016/S0165-1161(96)90262-9
https://doi.org/10.1016/0165-7992(94)90041-8
https://doi.org/10.1271/BBB1961.46.1079
https://doi.org/10.1271/BBB.57.123
https://doi.org/10.1248/BPB.B16-00284
https://doi.org/10.1248/CPB.34.61
https://doi.org/10.1016/S0308-8146(02)00415-6
https://doi.org/10.1007/BF01201768
https://doi.org/10.1093/CARCIN/18.12.2361
https://doi.org/10.1002/MRC.1260330709
https://doi.org/10.1271/BBB1961.50.1039
https://doi.org/10.1016/S0014-2999(98)00953-4
https://doi.org/10.1016/0378-8741(95)90039-X
https://doi.org/10.1248/CPB.37.3255
https://doi.org/10.1002/MNFR.200400064
Cianidanol 9064 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1002/(SICI)1521-4168(19990401)22:4<225::AID-JHRC225>3.0.CO;2-V
https://doi.org/10.1159/000261407
https://doi.org/10.1007/BF01201768
https://doi.org/10.1002/MNFR.200400064
https://doi.org/10.1016/0021-9673(96)00456-6
https://doi.org/10.1271/NOGEIKAGAKU1924.58.1131
https://doi.org/10.1021/JF010153L
https://doi.org/10.1021/JF980223X
https://doi.org/10.1248/CPB.32.2011
https://doi.org/10.1271/BBB1961.53.2307
https://doi.org/10.1002/(SICI)1097-458X(199611)34:11<887::AID-OMR995>3.0.CO;2-U
https://doi.org/10.1021/JF000026+
https://doi.org/10.1271/BBB.59.2134
https://doi.org/10.1248/CPB.40.1383
https://doi.org/10.1016/S0308-8146(02)00112-7
https://doi.org/10.1248/CPB.31.3906
https://doi.org/10.1016/S0308-8146(99)00179-X
https://doi.org/10.1021/JF950652K
https://doi.org/10.1248/BPB.18.683
https://doi.org/10.1081/JLC-100103434
https://doi.org/10.1016/S0304-4165(99)00102-6
https://doi.org/10.1271/BBB.61.1901
https://doi.org/10.1081/JLC-120003036
https://doi.org/10.1016/S0308-8146(02)00415-6
https://doi.org/10.1016/S0021-9673(97)00906-0
https://doi.org/10.1021/JF981114L
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7642434/
https://doi.org/10.1002/PTR.2650050512
https://doi.org/10.1271/BBB1961.55.1425
https://doi.org/10.1248/CPB.51.343
https://doi.org/10.1271/BBB1961.46.1079
https://doi.org/10.1002/(SICI)1097-0142(19960415)77:8+<1662::AID-CNCR12>3.0.CO;2-W
https://doi.org/10.1016/J.BMC.2012.02.002
https://doi.org/10.1021/JF970889B
https://doi.org/10.1039/A909219F
https://doi.org/10.1080/1071576021000006707
https://doi.org/10.1248/CPB.35.611
https://doi.org/10.1016/J.FOODRES.2004.10.005
Epicatechin 72276 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown