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Beta vulgaris

Beta vulgaris - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID64400d0f77864971163741
Scientific name Beta vulgaris
Authority L.
First published in Sp. Pl. : 222 (1753)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Beta alba DC. Fl. Franç. , ed. 3, 3: 383 (1805)
Beta altissima Steud. Nomencl. Bot. , ed. 2, 1: 200 (1840)
Beta atriplicifolia Rouy Rev. Sci. Nat. (Montpellier) , sér. 3, 1: 246 (1883)
Beta bengalensis Roxb. Fl. Ind. ed. 1832 , 2: 59 (1832)
Beta brasiliensis Voss Vilm. Blumengärtn., ed. 3. 1: 874. 1895 : errat.
Beta carnulosa Gren. Fl. France 3: 16 (1855)
Beta cicla (L.) L. Syst. Nat. ed. 12 2: 195 1767
Beta cicla var. argentea Krassochkin & Burenin Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 145: 118 (1991)
Beta cicla var. viridis Krassochkin & Burenin Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 145: 118 (1991)
Beta crispa Tratt. Arch. Gewächsk. Leopold Trattinick 7: 117 (1819)
Beta decumbens Moench Methodus : 332 (1794)
Beta esculenta Salisb. Prodr. Stirp. Chap. Allerton : 152 (1796)
Beta foliosa Ehrenb. ex Steud. Nomencl. Bot. [Steudel], ed. 2. 1: 200. 1840
Beta hortensis Mill. Gard. Dict. ed. 8 : n.º 2 (1768)
Beta hybrida Andrz. Izv. Univ. Kiev 7: 132 (1862)
Beta incarnata Steud. Nomencl. Bot. , ed. 2, 1: 200 (1840)
Beta lutea Steud. Nomencl. Bot. , ed. 2, 1: 200 (1840)
Beta marina Crantz Inst. Rei Herb. 1: 120 (1766)
Beta maritima L. Sp. Pl. ed. 2 : 322 (1762)
Beta maritima var. atriplicifolia Krassochkin Trudy Prikl. Bot. 32(3): 27 1959
Beta maritima subsp. atriplicifolia (Rouy) Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 66 (1983)
Beta maritima subsp. danica Krassochkin Trudy Prikl. Bot. 32(3): 34 1959
Beta maritima var. erecta Krassochkin Trudy Prikl. Bot. 32(3): 28 1959
Beta maritima subsp. marcosii (O.Bolòs & Vigo) Juan & M.B.Crespo Acta Bot. Malac. 24: 226 (1999)
Beta maritima subsp. orientalis (Roth) Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 66 (1983)
Beta maritima var. prostrata Krassochkin Trudy Prikl. Bot. 32(3): 27 1959
Beta noeana Bunge ex Boiss. Fl. Orient. 4: 899 (1879)
Beta orientalis Roth Nov. Pl. Sp. : 181 (1821)
Beta purpurea Steud. Nomencl. Bot. , ed. 2, 1: 200 (1840)
Beta rapa Dumort. Fl. Belg. : 21 (1827)
Beta rapacea Hegetschw. Fl. Schweiz : 256 (1839)
Beta rosea Steud. Nomencl. Bot. , ed. 2, 1: 200 (1840)
Beta sativa Bernh. Syst. Verz. Erf. : 162 (1800)
Beta stricta K.Koch Linnaea 22: 180 (1849)
Beta sulcata Gasp. Fl. Sicul. Syn. 2: 800 (1845)
Beta triflora Salisb. Prodr. Stirp. Chap. Allerton : 152 (1796)
Beta vulgaris subsp. asiatica Krassochkin ex Burenin Byull. Vses. Ord. Lenina Inst. Rast. N.I. Vavilova 130: 67 (1983).
Beta vulgaris var. asiatica Burenin Byull. Vses. Ord. Lenina Inst. Rast. N.I. Vavilova 161: 69 (1986).
Beta vulgaris var. atriplicifolia (Rouy) Krassochkin Fl. Cult. Pl. 19: 30 1971
Beta vulgaris var. aurantia Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris subsp. cicla (L.) Schübl. & G.Martens Fl. Würtemberg 206 1884
Beta vulgaris var. cicla L. Vilm. Blumengärtn., ed. 3. 1: 874. 1895
Beta vulgaris var. coniciformis Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris var. foliosa (Asch. & Schweinf.) Aellen Ber. Schweiz. Bot. Ges. 48: 474 1938
Beta vulgaris var. glabra (Delile) Aellen Ber. Schweiz. Bot. Ges. 48: 479 1938
Beta vulgaris var. grisea Aellen Byull. Vses. Ord. Lenina Inst. Rast. N.I. Vavilova 130: 67 (1983).
Beta vulgaris subsp. lomatogonoides Aellen Ber. Schweiz. Bot. Ges. 48: 478 1938
Beta vulgaris var. marcosii O.Bolòs & Vigo Butl. Inst. Catalana Hist. Nat., Secc. Bot. 38(1): 88 (1974)
Beta vulgaris var. maritima (L.) Moq. Prodr. 13(2): 56 (1849)
Beta vulgaris subsp. maritima (L.) Arcang. Comp. Fl. Ital. 593 1882
Beta vulgaris var. mediasiatica Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris var. orientalis (Roth) Moq. Prodr. 13(2): 56 1849
Beta vulgaris subsp. orientalis (Roth) Aellen Ber. Schweiz. Bot. Ges. 48: 479 1938
Beta vulgaris var. ovaliformis Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris var. perennis L. Sp. Pl. 222 1753
Beta vulgaris var. pilosa (Delile) Moq. Prodr. 13(2): 56 1849
Beta vulgaris subsp. provulgaris Ford-Lloyd & J.T. Williams Bot. J. Linn. Soc. 71: 99 (1975 publ. 1976)
Beta vulgaris var. rubidus Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris var. rubra L. Byull. Vses. Ord. Lenina Inst. Rast. N.I. Vavilova 161: 70 (1986).
Beta vulgaris var. rubrifolia Krassochkin ex Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 161: 69 (1986)
Beta vulgaris var. virescens Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris var. viridifolia Krassochkin ex Burenin Nauchno-Tekhn. Byull. Vsesoyuzn. Ordena Lenina Ordena Druzhby Narodov Nauchno-Issl. Inst. Rasteniev. N. I. Vavilova 130: 67 (1983)
Beta vulgaris subsp. foliosa Asch. & Schweinf. Ill. Fl. Égypte 125 1887
Beta maritima var. pilosa Delile Descr. Egypte, Hist. Nat. 57 1813
Beta maritima var. glabra Delile Descr. Egypte, Hist. Nat. 57 1813
Beta vulgaris var. altissima Döll Rhein. Fl. 293 1843
Beta vulgaris var. crassa Alef. Landw. Fl. 280 1866
Beta vulgaris var. lutea DC. Fl. Franç. ed. 3, 3: 383 1805
Beta vulgaris var. rapacea W.D.J.Koch Syn. Fl. Germ. Helv. : 606 (1837)
Beta vulgaris var. annua Asch. & Graebn. Syn. Mitteleur. Fl. 5: 14 1913
Beta vulgaris var. debeauxii Clary Bull. Soc. Hist. Nat. Toulouse 1888: 115 1888
Beta cicla (L.) Pers. Syn. Pl. 1: 295 1805
Beta vulgaris subsp. maritima (L.) Thell. La Flora Adventice de Montpellier 1912
Beta orientalis L.
Beta vulgaris subsp. cicla (L.) W.D.J.Koch Syn. Deut. Schweiz. Fl. (ed. 2) 2: 720 1846
Beta vulgaris var. saccharifera Alef.
Beta vulgaris var. rosea Moq.

Common names Top

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Language Common/alternative name
English common beet
English beet
English sea beet
Amharic ቀይ ስር
an remolacha
Arabic بنجر
Arabic beet
Arabic البنجر
Arabic الشمندر
Arabic شوندر
Arabic شمندر
Azerbaijani Çuğundur
ba Сөгөлдөр
Belarusian буракі звычайныя
Bulgarian червено цвекло
bho चुकंदर
Bosnian cikla
Catalan bleda-rave
Catalan beta-rave
Catalan remolatxa
Czech řepa obecná
cv Чĕкĕнтĕр
Welsh betysen
Danish almindelig bede
German beta-rübe
German rübe
dv ރަންގުމޫ
Greek Παντζάρι
Esperanto beto
Estonian harilik peet
Basque beterraba
Persian چغندر (گیاه)
Finnish ruokajuurikas
Finnish juurikas
French betterave
frr rööw
gd biotais
Galician remolacha
gn remolácha
Hebrew סלק
Hindi चुकन्दर
Hindi चुकंदर
Croatian cikla
Upper Sorbian wšědna rěpa
ht bètrav
Hungarian cékla
Armenian Ճակնդեղ
Armenian Բազուկ
Indonesian bit
Indonesian bit gula
Icelandic beðja
Italian barbabietola
Japanese フダンソウ属
Georgian ჭარხალი
kbp pɛteravi
Kazakh Ас қызылшасы
Korean 비트
ku silq
ku silk
lad kuchundúrya
lb rommel
lij giæa
Lithuanian runkelis
Latvian parastā biete
Malagasy betiravy
Malayalam ബീറ്റ് റൂട്ട്
Burmese မုန်လာဥနီ
myv Якстерькай
Norwegian Bokmål bete
Norwegian Bokmål rødbete
Nepali चुकन्दर
Dutch strandbiet
Dutch strandbiet en biet
Dutch biet
os Дзæхæра
os Къумбул
os Къуымбыл
os Сырх цæхæра
os Цæхæра
pcd biéte
Polish burak zwyczajny
Portuguese beterraba doce
Portuguese beterraba
Quechua misk'i raphi
Quechua remolacha
Quechua rimulacha
Romanian sfeclă roșie
Russian свёкла обыкновенная
Russian бурак
Russian béta vulgáris
Russian буряк
scn giri
scn agghiti
scn aggiti
scn aìti
scn ggiri
scn gira
scn salchi
scn sàlica
scn sarca
scn sèchila
scn sèchili
scn sècula
scn sèghira
scn seghiri
scn sèghiri
scn sìchili
Samogitian batvėnis
Serbo-Croatian cvekla
Serbo-Croatian cikla
Slovak cvikla
Slovak repa obyčajná
Slovenian pesa
Slovenian pesa-rdeča
Slovenian rdeča pesa
Slovenian navadna pesa
Albanian panxhari
Swedish beta
tg Лаблабу
Turkish pancar
Ukrainian буряк столовий
Vietnamese củ cải ngọt
vls bête
Walloon betråle
Chinese 莙荙子
Chinese 甜菜
Chinese 根菾菜
Chinese 红牛皮菜
Chinese 菾菜

Subspecies (abbr. subsp./ssp.) Top

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Name Authority First published in
Beta vulgaris subsp. adanensis (Pamukç.) Ford-Lloyd & J.T. Williams Bot. J. Linn. Soc. 71: 100 (1975 publ. 1976)

Varieties (abbr. var.) Top

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Name Authority First published in
Beta vulgaris var. trojana (Pamukç. ex Aellen) Ford-Lloyd & J.T. Williams Bot. J. Linn. Soc. 71: 100 (1975 publ. 1976)

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • Macaronesia
      • Azores
      • Canary Islands
      • Madeira
    • Northeast Tropical Africa
      • Eritrea
      • Ethiopia
      • Sudan
    • Northern Africa
      • Algeria
      • Egypt
      • Libya
      • Morocco
      • Tunisia
      • Western Sahara
    • Southern Africa
      • Cape Provinces
    • West-central Tropical Africa
      • Cameroon
  • Asia-temperate
    • Arabian Peninsula
      • Gulf States
      • Kuwait
      • Oman
      • Saudi Arabia
      • Yemen
    • Caucasus
      • North Caucasus
      • Transcaucasus
    • China
      • China North-central
      • Inner Mongolia
    • Eastern Asia
      • Japan
      • Korea
    • Middle Asia
      • Tadzhikistan
    • Siberia
      • Altay
    • Western Asia
      • Cyprus
      • East Aegean Islands
      • Iran
      • Iraq
      • Lebanon-Syria
      • Palestine
      • Sinai
      • Turkey
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • India
      • Nepal
      • Pakistan
      • Sri Lanka
    • Indo-China
      • Vietnam
  • Australasia
    • Australia
      • New South Wales
      • South Australia
      • Tasmania
      • Victoria
    • New Zealand
      • New Zealand North
      • New Zealand South
  • Europe
    • Eastern Europe
      • Baltic States
      • Central European Russia
      • East European Russia
      • Krym
      • North European Russia
      • Northwest European Russia
      • South European Russia
      • Ukraine
    • Middle Europe
      • Belgium
      • Czechoslovakia
      • Germany
      • Netherlands
      • Poland
    • Northern Europe
      • Denmark
      • Finland
      • Great Britain
      • Ireland
      • Norway
      • Sweden
    • Southeastern Europe
      • Albania
      • Bulgaria
      • Greece
      • Italy
      • Kriti
      • Sicilia
      • Turkey-in-Europe
      • Yugoslavia
    • Southwestern Europe
      • Baleares
      • Corse
      • France
      • Portugal
      • Sardegna
      • Spain
  • Northern America
    • Mexico
      • Mexico Northwest
    • Northeastern U.S.A.
      • Connecticut
      • Maine
      • Massachusetts
      • New Hampshire
      • New Jersey
      • New York
      • Pennsylvania
      • Rhode Island
      • Vermont
      • West Virginia
    • Southeastern U.S.A.
      • Alabama
      • Maryland
      • North Carolina
      • South Carolina
      • Virginia
    • Southwestern U.S.A.
      • California
  • Southern America
    • Caribbean
      • Cayman Islands
      • Cuba
      • Dominican Republic
      • Puerto Rico
    • Central America
      • Costa Rica
      • Honduras
    • Southern South America
      • Argentina Northeast
      • Argentina Northwest
      • Argentina South
      • Chile Central
      • Chile North
      • Juan Fernández Islands
      • Uruguay
    • Western South America
      • Ecuador

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000564998
UNII 4G174V5051
USDA Plants BEVU2
Tropicos 7200163
INPN 85820
Flora of Italy 447
KEW urn:lsid:ipni.org:names:164505-1
The Plant List kew-2675613
Missouri Botanical Garden 279155
Open Tree Of Life 273185
Observations.org 20540
NCBI Taxonomy 161934
NBN Atlas NBNSYS0000003106
Nature Serve 2.149088
IPNI 164505-1
iNaturalist 54517
iNaturalist 54498
iNaturalist 468452
GBIF 7068845
EPPO BEAVX
EOL 585884
Elurikkus 3086
Calflora (Californian flora) 1082
USDA GRIN 300073
Wikipedia Beta_vulgaris
CMAUP NPO25583

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_026745355.1 EL10.2 Chromosome USDA ARS 2022-12-09 50.0x 542.40 Mb

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
Integrated metabolomic and transcriptomic analyses provide insights into regulation mechanisms during bulbous stem development in the Chinese medicinal herb plant, Stephania kwangsiensis Huang H, Wei Y, Huang S, Lu S, Su H, Ma L, Huang W BMC Plant Biol 11-Apr-2024
PMCID:PMC11007893
doi:10.1186/s12870-024-04956-2
PMID:38605285
Assembly and comparative analysis of the initial complete mitochondrial genome of Primulina hunanensis (Gesneriaceae): a cave-dwelling endangered plant Chen L, Dong X, Huang H, Xu H, Rono PC, Cai X, Hu G BMC Genomics 01-Apr-2024
PMCID:PMC10983754
doi:10.1186/s12864-024-10247-9
PMID:38561677
LC–MS/MS, GC–MS and molecular docking analysis for phytochemical fingerprint and bioactivity of Beta vulgaris L. Üst Ö, Yalçin E, Çavuşoğlu K, Özkan B Sci Rep 29-Mar-2024
PMCID:PMC10980731
doi:10.1038/s41598-024-58338-7
PMID:38553576
Channel Attention GAN-Based Synthetic Weed Generation for Precise Weed Identification Li T, Asai M, Kato Y, Fukano Y, Guo W Plant Phenomics 28-Mar-2024
PMCID:PMC10981930
doi:10.34133/plantphenomics.0122
PMID:38560380
Mechanism of action of microRNA166 on nitric oxide in alfalfa (Medicago sativa L.) under drought stress Wei B, Wang Y, Ruan Q, Zhu X, Wang X, Wang T, Zhao Y, Wei X BMC Genomics 28-Mar-2024
PMCID:PMC10976769
doi:10.1186/s12864-024-10095-7
PMID:38549050
Revisiting a pollen-transmitted ilarvirus previously associated with angular mosaic of grapevine Mahillon M, Brodard J, Schoen R, Botermans M, Dubuis N, Groux R, Pannell JR, Blouin AG, Schumpp O Virus Res 22-Mar-2024
PMCID:PMC10979282
doi:10.1016/j.virusres.2024.199362
PMID:38508402
Multifaceted chemical and bioactive features of Ag@TiO2 and Ag@SeO2 core/shell nanoparticles biosynthesized using Beta vulgaris L. extract Elattar KM, Al-Otibi FO, El-Hersh MS, Attia AA, Eldadamony NM, Elsayed A, Menaa F, Saber WI Heliyon 22-Mar-2024
PMCID:PMC10979172
doi:10.1016/j.heliyon.2024.e28359
PMID:38560145
Green Extraction of Natural Colorants from Food Residues: Colorimetric Characterization and Nanostructuring for Enhanced Stability Lauria VB, Silva LP Foods 21-Mar-2024
PMCID:PMC10970246
doi:10.3390/foods13060962
PMID:38540952
Local knowledge of homegarden plants in Miao ethnic communities in Laershan region, Xiangxi area, China Luo J, Li Q, He J, Yan J, Zhang S, Chang X, Wu T J Ethnobiol Ethnomed 18-Mar-2024
PMCID:PMC10946099
doi:10.1186/s13002-024-00676-x
PMID:38500123
Recent advances in the biosynthesis and industrial biotechnology of Gamma-amino butyric acid Milon RB, Hu P, Zhang X, Hu X, Ren L Bioresour Bioprocess 16-Mar-2024
PMCID:PMC10992975
doi:10.1186/s40643-024-00747-7
Transcriptome-Based Weighted Gene Co-Expression Network Analysis Reveals the Photosynthesis Pathway and Hub Genes Involved in Promoting Tiller Growth under Repeated Drought–Rewatering Cycles in Perennial Ryegrass Ding Y, Zhang X, Li J, Wang R, Chen J, Kong L, Li X, Yang Z, Zhuang L Plants (Basel) 15-Mar-2024
PMCID:PMC10976046
doi:10.3390/plants13060854
PMID:38592951
Pentastiridius leporinus (Linnaeus, 1761) as a Vector of Phloem-Restricted Pathogens on Potatoes: ‘Candidatus Arsenophonus Phytopathogenicus’ and ‘Candidatus Phytoplasma Solani’ Therhaag E, Schneider B, Zikeli K, Maixner M, Gross J Insects 13-Mar-2024
PMCID:PMC10971734
doi:10.3390/insects15030189
PMID:38535384
Field study of parasitic contamination of fruits, vegetables and leafy greens in the Ecuadorian Andes González-Ramírez LC, Djabayan-Djibeyan P, Prato JG, García Ríos CA, Carrero JC, Trelis M, Fuentes MV F1000Res 12-Mar-2024
PMCID:PMC10808852
doi:10.12688/f1000research.132957.1
PMID:38273962
Glutathione-the “master” antioxidant in the regulation of resistant and susceptible host-plant virus-interaction Kozieł E, Otulak-Kozieł K, Rusin P Front Plant Sci 12-Mar-2024
PMCID:PMC10963531
doi:10.3389/fpls.2024.1373801
PMID:38533404
Long-Term Monitoring of the Traditional Knowledge of Plant Species Used for Culinary Purposes in the Valencia Region, South-Eastern Spain Belda A, Jordán-Nuñez J, Micó-Vicent B, López-Rodríguez D Plants (Basel) 08-Mar-2024
PMCID:PMC10975046
doi:10.3390/plants13060775
PMID:38592810

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 / Betalains / Betacyanins and derivatives
(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-ium-2-carboxylate 11953901 Click to see C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O 550.50 unknown https://doi.org/10.1111/J.1365-2621.1979.TB03825.X
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
https://doi.org/10.1081/JLC-100104376
https://doi.org/10.1016/0021-9673(95)00885-3
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1021/JF000523Q
https://doi.org/10.1021/JF035491W
Celosianin II 11953905 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(C=C5C(=C4)CC([N+]5=CC=C6CC(NC(=C6)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O)C(=O)O)O)O)O 902.80 unknown https://doi.org/10.1021/JF000523Q
Isobetanin 6325438 Click to see C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O 550.50 unknown https://doi.org/10.1016/0021-9673(95)00885-3
https://doi.org/10.1021/JF035491W
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1021/JF000523Q
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
Lampranthin II 11953909 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C4C(=C3)CC([N+]4=CC=C5CC(NC(=C5)C(=O)O)C(=O)O)C(=O)[O-])O)O)O)O)O 726.60 unknown https://doi.org/10.1021/JF035491W
Prebetanin 6325833 Click to see C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O 630.50 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1271/BBB1961.44.205
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1271/BBB1961.44.205
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Precatorine 54704420 Click to see C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2[O-])C(=O)O)O 289.24 unknown via CMAUP database
Syringic acid 10742 Click to see COC1=CC(=CC(=C1O)OC)C(=O)O 198.17 unknown https://doi.org/10.1271/BBB1961.44.205
https://doi.org/10.1016/S0308-8146(03)00294-2
> 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)00294-2
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1271/BBB1961.44.205
> Benzenoids / Benzene and substituted derivatives / Benzyl cyanides
Phenylacetonitrile 8794 Click to see C1=CC=C(C=C1)CC#N 117.15 unknown https://doi.org/10.1002/JSFA.2740310305
> Benzenoids / Phenols / Methoxyphenols
N-Trans-feruloyltramine 5280537 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O 313.30 unknown https://doi.org/10.1080/00021369.1984.10866374
https://doi.org/10.1271/BBB1961.48.1653
Syringaldehyde 8655 Click to see COC1=CC(=CC(=C1O)OC)C=O 182.17 unknown https://doi.org/10.1271/BBB1961.44.205
Vanillin 1183 Click to see COC1=C(C=CC(=C1)C=O)O 152.15 unknown https://doi.org/10.1271/BBB1961.44.205
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Anthracobic acid B 139588835 Click to see CC=C(C)C1(C(C2CC=C(CC2C3C1O3)C)C=CC=C(C)C=CC=CC(=O)O)O 396.50 unknown https://doi.org/10.1021/JF035491W
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Biflorane and serrulatane diterpenoids
2,5-Dimethyl-1,5-bis(methylideneamino)-8-[2-methyl-5-[2-(methylideneamino)propan-2-yl]oxolan-2-yl]-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol 162876894 Click to see CC1(CCC(C2C1CCC(C2N=C)(C)O)C3(CCC(O3)C(C)(C)N=C)C)N=C 389.60 unknown https://doi.org/10.1002/HLCA.200690077
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
(1S,2E,5E,9E,12S)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-2,5,9-trien-1-ol 163194342 Click to see CC1=CCC(CCC(C=CCC(=CCC1)C)(C)O)C(=C)C 288.50 unknown https://doi.org/10.1021/JF035491W
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
2,10-Dihydroxy-2,6,10-trimethyldodeca-3,6,11-trien-5-one 85612428 Click to see CC(=CCCC(C)(C=C)O)C(=O)C=CC(C)(C)O 252.35 unknown https://doi.org/10.1021/JF010456F
4-Hydroxy-2-(hydroxymethyl)-5-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohex-2-en-1-one 163023091 Click to see CC(=CCCC(C)(C1CC(=O)C(=CC1O)CO)O)C 268.35 unknown https://doi.org/10.1016/S0031-9422(00)00383-6
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid 100917517 Click to see CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)OC5C(C(C(CO5)O)O)O)O)C)CC=C6C3(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C 911.00 unknown https://doi.org/10.1248/CPB.46.1758
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)- 132472065 Click to see CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)CC=C5C3(CCC6(C5CC(=C)CC6)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C 941.00 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.1248/CPB.46.1758
Betavulgaroside X 85287103 Click to see CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)OC5C(C(C(CO5)O)O)O)O)C)CC=C6C3(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C 911.00 unknown https://doi.org/10.1248/CPB.46.1758
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
[(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 6325178 Click to see CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O 524.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2R,3S)-3-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-6-oxo-1,4-dioxane-2-carboxylic acid 162916024 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(OC(=O)CO7)C(=O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 939.00 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
(2R,3S)-3-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-oxo-1,4-dioxane-2-carboxylic acid 162889625 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(OC(=O)CO6)C(=O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 762.90 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
(2S,3R,4aS,5S,7R,8R,8aR)-7-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 101926716 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 955.00 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid 100917516 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(CO7)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 1089.20 unknown https://doi.org/10.1248/CPB.46.1758
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162988517 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 1119.20 unknown https://doi.org/10.3987/COM-95-7111
https://doi.org/10.1248/CPB.46.1758
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-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-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid 15275877 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C 794.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid 100917514 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 973.10 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.1248/CPB.46.1758
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 10416408 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C 618.80 unknown via CMAUP database
3-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-oxo-1,4-dioxane-2-carboxylic acid 162889624 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(OC(=O)CO6)C(=O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 762.90 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
3-[2-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-6-oxo-1,4-dioxane-2-carboxylic acid 162916023 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(OC(=O)CO7)C(=O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 939.00 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
6-[(8a-Carboxy-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-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid 53463045 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C 794.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 13909679 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 795.00 unknown https://doi.org/10.1248/CPB.44.1212
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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-carboxylic acid 14162553 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 927.10 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid 85175980 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(CO7)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 1089.20 unknown https://doi.org/10.1248/CPB.46.1758
Achyranthoside B 134692504 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 955.00 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
Achyranthoside C 78172884 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 957.10 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
Achyranthoside D 85112371 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 1119.20 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
https://doi.org/10.1248/CPB.46.1758
beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)- 132472064 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C 810.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.1248/CPB.46.1758
Betavulgaroside I 85099121 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 955.00 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
Betavulgaroside III 6918742 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 957.10 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
Betavulgaroside IV 178116 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C 794.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
Calenduloside E 176079 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C 632.80 unknown via CMAUP database
Calenduloside F 13909684 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 795.00 unknown https://doi.org/10.1248/CPB.44.1212
Momordin IIc 14162557 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 927.10 unknown https://doi.org/10.1016/S0031-9422(00)89589-8
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
[(1S,2S,3S,4R,7R,8S,12S,13S,14S,16R,17R)-2,12,16-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-14-yl] (2R)-2-methylbutanoate 163104940 Click to see CCC(C)C(=O)OC1CC(C2(CO2)C3C1(C(CCC(=C)C(C4C(C3OC(=O)C)(C(C(=O)O4)C)O)Cl)OC(=O)C)C)OC(=O)C 643.10 unknown https://doi.org/10.1002/HLCA.200690077
[(1S,7E,9S,12S,13S,14S)-14-acetyloxy-9-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-3,7,16-trien-12-yl] 3-methylbutanoate 162938012 Click to see CC1=CCC(C2(C1CC3=C(C(=O)OC3=CC(CCC2OC(=O)CC(C)C)(C)O)C)C)OC(=O)C 474.60 unknown https://doi.org/10.1021/JF035491W
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
[(3aR,4R,6Z,10Z,11aS)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (E)-2-methylbut-2-enoate 162953859 Click to see CC=C(C)C(=O)OCC1=CCCC(=CC2C(C(C1)OC(=O)C)C(=C)C(=O)O2)CO 404.50 unknown https://doi.org/10.1021/JA01101A009
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
alpha-Carotene 6419725 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C 536.90 unknown https://doi.org/10.1111/J.1365-2621.1986.TB10851.X
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(2S,3R,4aS,5S,7R,8R,8aR)-7-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-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]-2-(carboxymethoxy)-3,8-dihydroxy-2,4a,5,7,8,8a-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid 101926301 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C 792.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
1-(5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12-tetradecahydrocyclopenta[a]chrysen-9-yl)heptadecan-1-one 163052398 Click to see CCCCCCCCCCCCCCCCC(=O)C1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5C4(CCC5C(=C)C)C)C)C)C 661.10 unknown https://doi.org/10.1021/JF035491W
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/10.1016/S0031-9422(00)97034-1
Betavulgaroside II 78422615 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C 792.90 unknown https://doi.org/10.1248/CPB.44.1212
https://doi.org/10.3987/COM-95-7111
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
Oleanolic Acid (Caryophyllin) 49867939 Click to see CC1(CC2C(CCC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(C1)C(=O)O)C 456.70 unknown via CMAUP database
> 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
(2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 636484 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/10.1016/S0031-9422(00)97034-1
24-epi-Castasterone 13039027 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/10.1016/S0031-9422(00)97034-1
24-Epicastasterone 11812633 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/10.1016/S0031-9422(00)97034-1
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/10.1016/S0031-9422(00)97034-1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholesterol 5997 Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 386.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol 145925700 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/10.1016/S0031-9422(00)97034-1
24-Methylene-cycloartanol 9547213 Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 440.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
24-Methylenecycloartanol 94204 Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 440.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
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/10.1016/S0031-9422(00)97034-1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 134766514 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
24-Methylenecholesterol 92113 Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 398.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
24-Methylenelophenol 5283640 Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(=C)C(C)C)C)C)O 412.70 unknown https://doi.org/10.1007/BF02632111
5-Cholestene-3-ol, 24-methyl- 312822 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides
(2S,3R,8S,9R,10R,13R,14S,16R,17R)-17-[(Z,2S)-2,7-dihydroxy-6-methylhept-5-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one 162914075 Click to see CC(=CCCC(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O)CO 666.80 unknown https://doi.org/10.1021/JF035491W
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3S,5S,9S,10S,13R,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 91746710 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C 416.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptan-1-ol 56924079 Click to see CC(C)C(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)CCO 416.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
24-Ethyl-5alpha-cholest-7-en-3beta-ol 131751392 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
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/S0031-9422(00)97034-1
Fucosterol 5281326 Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1016/S0031-9422(00)97034-1
> Nucleosides, nucleotides, and analogues / Purine nucleosides
9-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 45109804 Click to see C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O 268.23 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
(2S,4Z)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 101594575 Click to see C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O 211.17 unknown https://doi.org/10.1515/ZNC-2001-5-604
4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 4480713 Click to see C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O 211.17 unknown https://doi.org/10.1016/S0031-9422(01)00141-8
4-[2-(4-amino-1-carboxy-4-oxobutyl)iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 135499079 Click to see C1C(NC(=CC1=CC=NC(CCC(=O)N)C(=O)O)C(=O)O)C(=O)O 339.30 unknown https://doi.org/10.1021/JF010456F
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 135499074 Click to see C1C(NC(=CC1=CC=NCCC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O 346.30 unknown https://doi.org/10.1016/S0031-9422(00)00383-6
5-amino-2-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-5-oxopentanoate 5315277 Click to see C1C(NC(=CC1=CC=[NH+]C(CCC(=O)N)C(=O)[O-])C(=O)O)C(=O)O 339.30 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
Azetidine-2-carboxylate 5248351 Click to see C1C[NH2+]C1C(=O)[O-] 101.10 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S)-4-[(E)-2-[(2S)-2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 25246301 Click to see C1C(N=C(C=C1C=CN2C(CC3=CC(=O)C(=O)C=C32)C(=O)O)C(=O)O)C(=O)O 386.30 unknown https://doi.org/10.1021/JF0013555
Betalamic acid 5281176 Click to see C1C(NC(=CC1=CC=O)C(=O)O)C(=O)O 211.17 unknown https://doi.org/10.1016/S0031-9422(01)00141-8
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1021/NP010524S
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
2-[3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoylamino]butanedioic acid 71341248 Click to see COC1=C(C=CC(=C1)C=CC(=O)NC(CC(=O)O)C(=O)O)O 309.27 unknown https://doi.org/10.1016/0031-9422(91)83189-R
Feruloylaspartic acid 68756586 Click to see COC1=C(C=CC(=C1)C=CC(=O)NC(CC(=O)O)C(=O)O)O 309.27 unknown https://doi.org/10.1016/0031-9422(91)83189-R
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
(2S)-4-[(E)-2-[[(1S)-1,3-dicarboxypropyl]amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 5281218 Click to see C1C(N=C(C=C1C=CNC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O 340.28 unknown via CMAUP database
4-[(E)-2-(1,3-dicarboxypropylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 5315279 Click to see C1C(N=C(C=C1C=CNC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O 340.28 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
Vulgaxanthin II 135870053 Click to see C1C(NC(=CC1=CC=NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O 340.28 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamine and derivatives
5-amino-2-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-5-oxopentanoate 22524619 Click to see C1C(NC(=CC1=CC=[NH+]C(CCC(=O)N)C(=O)[O-])C(=O)O)C(=O)O 339.30 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
Indicaxanthin 6096870 Click to see C1CC([N+](=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)C1)C(=O)[O-] 308.29 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1021/JF035491W
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
(2S)-4-[(E)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 5281213 Click to see C1C(N=C(C=C1C=CNC(CC2=CC=C(C=C2)O)C(=O)O)C(=O)O)C(=O)O 374.30 unknown https://doi.org/10.1021/JF035491W
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
H-gGlu-DL-Cys(1)-Gly-OH.H-gGlu-DL-Cys(1)-Gly-OH 44630308 Click to see C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N 612.60 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Glutaric acid 743 Click to see C(CC(=O)O)CC(=O)O 132.11 unknown via CMAUP database
Hydron;propanedioate 23511544 Click to see [H+].[H+].C(C(=O)[O-])C(=O)[O-] 104.06 unknown via CMAUP database
Oxalic Acid 971 Click to see C(=O)(C(=O)O)O 90.03 unknown https://doi.org/10.1007/BF01282602
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7794265/
Succinic Acid 1110 Click to see C(CC(=O)O)C(=O)O 118.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7794265/
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
5-[(2R,3S,4R,5R)-6-[[(2S)-2-carboxy-1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxopentanoate 163191005 Click to see C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)OC(=O)CCCC(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O 650.50 unknown https://doi.org/10.1021/JF035491W
> 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC7794265/
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
Malic Acid 525 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7794265/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
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/10.1016/S0308-8146(03)00294-2
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
Geosmin 29746 Click to see CC1CCCC2(C1(CCCC2)O)C 182.30 unknown https://doi.org/10.1021/JF60204A059
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucuronides / O-glucuronides
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropoxy]oxane-2-carboxylic acid 163189784 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(COC2C(C(C(C(O2)C(=O)O)O)O)O)O)O 444.40 unknown https://doi.org/10.1016/0031-9422(91)83189-R
3,4,5-Trihydroxy-6-[2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propoxy]oxane-2-carboxylic acid 163091787 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(COC2C(C(C(C(O2)C(=O)O)O)O)O)O)O 444.40 unknown https://doi.org/10.1016/0031-9422(91)83189-R
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(2R,3R)-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,4-dihydroxybutanoic acid 162969000 Click to see C(C1C(C(C(O1)OC(CO)C(C(=O)O)O)O)O)O 268.22 unknown https://doi.org/10.1021/JF035491W
6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol 107148 Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O 342.30 unknown https://doi.org/10.1021/JA01101A009
6-[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol 18336749 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(C(C3O)O)O)O)O)O)O)O)O)O)O)O 504.40 unknown https://doi.org/10.1271/BBB1961.52.2347
D-Alt(a1-2a)L-Psif 53301851 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
4-[(E)-2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid 131750867 Click to see C1C(N(C2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C=CC4=CC(=NC(=C4)C(=O)O)C(=O)O)C(=O)O 548.50 unknown https://doi.org/10.1016/0031-9422(86)80100-5
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1016/S0031-9422(00)83046-0
4-[2-[(2R)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid 163191116 Click to see C1C(N(C2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C=CC4=CC(=NC(=C4)C(=O)O)C(=O)O)C(=O)O 548.50 unknown https://doi.org/10.1016/S0031-9422(00)83046-0
cyclo-dopa 5-O-glucoside 46173990 Click to see C1C(NC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)O 357.31 unknown https://doi.org/10.1002/HLCA.19840670520
Cyclodopa glucoside 74413859 Click to see C1C(NC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)O 357.31 unknown https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1002/HLCA.19840670520
Suffruticoside A 9986231 Click to see CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O 612.50 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Galactose 6036 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1007/BF00575717
D-Glucose 5793 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1007/BF00575717
D-Mannose 18950 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1007/BF00575717
L-Rhamnose 25310 Click to see CC1C(C(C(C(O1)O)O)O)O 164.16 unknown https://doi.org/10.1007/BF00575717
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
D-Xylose 135191 Click to see C1C(C(C(C(O1)O)O)O)O 150.13 unknown https://doi.org/10.1007/BF00575717
L-Arabinose 439195 Click to see C1C(C(C(C(O1)O)O)O)O 150.13 unknown https://doi.org/10.1007/BF00575717
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
(2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,4S,5R)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid 163034766 Click to see CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C=CC=C(CC)C4C(CCC(O4)C(C)C(=O)O)C 493.70 unknown https://doi.org/10.1021/JF035491W
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde 126 Click to see C1=CC(=CC=C1C=O)O 122.12 unknown https://doi.org/10.1271/BBB1961.44.205
Protocatechualdehyde 8768 Click to see C1=CC(=C(C=C1C=O)O)O 138.12 unknown https://doi.org/10.1271/BBB1961.44.205
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate 54699186 Click to see COC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3 322.30 unknown via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / Hypoxanthines
CID 790 790 Click to see C1=NC2=C(N1)C(=O)N=CN2 136.11 unknown https://doi.org/10.1515/BCHM2.1904.41.6.535
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
7-Methylxanthine 68374 Click to see CN1C=NC2=C1C(=O)NC(=O)N2 166.14 unknown https://doi.org/10.1515/BCHM2.1904.41.6.535
Xanthine 1188 Click to see C1=NC2=C(N1)C(=O)NC(=O)N2 152.11 unknown https://doi.org/10.1515/BCHM2.1904.41.6.535
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives
Indole-3-carboxylic acid 69867 Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)O 161.16 unknown https://doi.org/10.1016/S0031-9422(00)94553-9
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives / Indolecarboxylic acids
(2S)-4-[(E)-2-[(2R)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 135612764 Click to see C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O 388.30 unknown https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
(2S)-4-[2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid 137218006 Click to see C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O 388.30 unknown https://doi.org/10.1021/JF000523Q
https://doi.org/10.1021/JF035491W
https://doi.org/10.1111/J.1365-2621.1988.TB10237.X
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles / 3-methylindoles
3-Methylindole 6736 Click to see CC1=CNC2=CC=CC=C12 131.17 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
Tryptophan 6305 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N 204.22 unknown https://doi.org/10.1515/ZNC-2001-5-604
> Organoheterocyclic compounds / Naphthofurans
(2S)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione 44583938 Click to see CC1C(C2=C(O1)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O)(C)C 304.29 unknown https://doi.org/10.1021/JF035491W
> Organoheterocyclic compounds / Oxepanes
24-(1,2-Dihydroxy-3-methylpent-3-enyl)-2,22,23-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.03,13.04,9.010,12.014,16]nonacos-1-ene-27,28-dione 76215233 Click to see CC=C(C)C(C(C1C(C(C(CCCCC2C(O2)(C3C(C4C(CC(CC4C5C3O5)C)C)C(=C6C(=O)CN1OC6=O)O)C)C)O)O)O)O 647.80 unknown https://doi.org/10.1016/S0031-9422(00)83046-0
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
Skimmianine 6760 Click to see COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC 259.26 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Chlorins
18-(2-Carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid 5360596 Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C 596.70 unknown https://doi.org/10.1076/PHBI.34.1.58.13174
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/10.1007/BF02890622
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-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 6433193 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/10.1007/BF02890622
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
n-Feruloyl-3-methoxytyramine 134313 Click to see COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O 343.40 unknown https://doi.org/10.1080/00021369.1984.10866374
N-feruloyltyramine; Moupinamide 125213 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O 313.30 unknown https://doi.org/10.1080/00021369.1984.10866374
N-trans-feruloylmethoxytyramine 5352115 Click to see COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O 343.40 unknown https://doi.org/10.1080/00021369.1984.10866374
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
[6-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 73162489 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O 518.50 unknown https://doi.org/10.1016/0031-9422(91)83189-R
6-O-(3-Methoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranose 101345697 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O 356.32 unknown https://doi.org/10.1016/0031-9422(91)83189-R
beta-D-Glucopyranose, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)- 73074725 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O 356.32 unknown https://doi.org/10.1016/0031-9422(91)83189-R
coumaroyl(3-OMe)(-6)Glc(a1-2b)L-Fruf 163185821 Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O 518.50 unknown https://doi.org/10.1016/0031-9422(91)83189-R
> 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/10.1016/0031-9422(91)83189-R
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/10.1016/0031-9422(91)83189-R
> 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 https://doi.org/10.1021/JF800574S
https://doi.org/10.1016/S0308-8146(03)00294-2
4-Hydroxycinnamic acid 322 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1515/ZNC-2001-5-604
https://doi.org/10.1021/JF800574S
https://doi.org/10.1093/JXB/27.4.827
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1515/ZNC-2001-5-604
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown https://doi.org/10.1021/JF00024A011
https://doi.org/10.1556/AALIM.29.2000.4.4
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone 44260067 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)OC 376.30 unknown via CMAUP database
3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 14483219 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)O 362.30 unknown via CMAUP database
Kaempferol 5280863 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
Limocitrol 12311234 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O)O 376.30 unknown via CMAUP database
Myricetin 5281672 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O 318.23 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
https://doi.org/10.1556/AALIM.29.2000.4.4
Quercetin 5280343 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 unknown https://doi.org/10.1016/S0308-8146(03)00294-2
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 3-O-p-coumaroyl glycosides / Anthocyanidin 3-O-6-p-coumaroyl glycosides
3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,5R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid 57003757 Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O 859.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 13871824 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)O)O 432.40 unknown via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 57511421 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O 432.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4-dihydroxy-5-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid 163042692 Click to see C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)COC(=O)CC(=O)O)O)O)O)O)O 650.50 unknown https://doi.org/10.1021/JF970924E
4-[[(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid 162851671 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)CCC(=O)O)O)O)O)O 694.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
4-[[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid 162851670 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)CCC(=O)O)O)O)O)O 694.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
8-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 163191226 Click to see C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 564.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 73157712 Click to see C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 564.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 14427440 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 594.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
Orientin 5281675 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O 448.40 unknown via CMAUP database
Vitexin 5280441 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown via CMAUP database
Vitexin 2''-O-beta-D-glucoside 5280641 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 594.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Cacticin 5318644 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 478.40 unknown via CMAUP database
Hyperoside 5281643 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown via CMAUP database
Kaempferol-3-O-glucosyl(1-2)rhamnoside 5489470 Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O 594.50 unknown https://doi.org/10.1016/S0031-9422(00)00383-6
Rutin 5280805 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
Vitamin P 5293655 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-Hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 73157709 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O 594.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
5-hydroxy-2-(4-methoxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 163056124 Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O 608.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
5-Hydroxy-2-(4-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 74977548 Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O 608.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
Vitexin 7-glucoside 101406316 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O 594.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.06.026
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
3-Methoxyluteolin 5280681 Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O 316.26 unknown via CMAUP database
3'-O-Methyltaxifolin 26194552 Click to see COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 318.28 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
5,7,8,4'-Tetrahydroxy-3-methoxyflavone 5319442 Click to see COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC=C(C=C3)O 316.26 unknown via CMAUP database
Dihydroisorhamnetin 56658060 Click to see COC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 318.28 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
Gossypetin 3-methyl ether 5386958 Click to see COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O 332.26 unknown via CMAUP database
Gossypetin 3,3'-dimethyl ether 21676153 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)OC)O 346.30 unknown via CMAUP database
Quercetagetin 3-methyl ether 5320475 Click to see COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O 332.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids
(2R,3R)-3-hydroxy-5-methoxy-6,7-methylenedioxyflavanone 21721856 Click to see COC1=C2C(=CC3=C1OCO3)OC(C(C2=O)O)C4=CC=CC=C4 314.29 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
(6R)-9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one 162953021 Click to see COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC 328.30 unknown https://doi.org/10.1016/S0040-4020(01)93389-7
2',5-Dimethoxy-6,7-methylenedioxyflavanone 3482905 Click to see COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC 328.30 unknown https://doi.org/10.1016/S0040-4020(01)93389-7
3-Hydroxy-5-methoxy-6,7-methylenedioxy flavanone 73829901 Click to see COC1=C2C(=CC3=C1OCO3)OC(C(C2=O)O)C4=CC=CC=C4 314.29 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
5-Methoxy-6,7-methylenedioxyflavone 189609 Click to see COC1=C2C(=CC3=C1OCO3)OC(=CC2=O)C4=CC=CC=C4 296.27 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
Betagarin 442261 Click to see COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC 328.30 unknown https://doi.org/10.1246/BCSJ.60.2261
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
4',5,7-Trihydroxy-3,6-dimethoxyflavone 5352032 Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O 330.29 unknown via CMAUP database
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone 44259895 Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O)OC 390.30 unknown via CMAUP database
5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone 44258045 Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC 390.30 unknown via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone 44258041 Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC 376.30 unknown via CMAUP database
5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone 44259884 Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)O)O)O 362.30 unknown via CMAUP database
5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone 21676156 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O)O 362.30 unknown via CMAUP database
5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone 44260054 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O)O 346.30 unknown via CMAUP database
Axillarin 5281603 Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O 346.30 unknown via CMAUP database
Dihydrooroxylin A 5316733 Click to see COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O 286.28 unknown https://doi.org/10.1246/BCSJ.60.2261
Jaceidin 5464461 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O 360.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Benthamitin 44259900 Click to see COC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC)OC 432.40 unknown via CMAUP database
Casticin 5315263 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O 374.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
3',4',5,7-Tetrahydroxy-3,8-dimethoxyflavone 5748553 Click to see COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O 346.30 unknown via CMAUP database
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxy- 5386960 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)O 360.30 unknown via CMAUP database
5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone 44260077 Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC 448.40 unknown via CMAUP database
5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone 44260086 Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O)OC 434.40 unknown via CMAUP database
5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone 369954 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O 404.40 unknown via CMAUP database
5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone 54799 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC 390.30 unknown via CMAUP database
5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone 44260074 Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O 420.40 unknown via CMAUP database
5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone 100625 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O 404.40 unknown via CMAUP database
5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone 44260073 Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)OC)O 406.30 unknown via CMAUP database
5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one 5386959 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O 390.30 unknown via CMAUP database
5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone 5386963 Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC 434.40 unknown via CMAUP database
5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone 5487077 Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O)OC 420.40 unknown via CMAUP database
5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone 21676158 Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O)O 406.30 unknown via CMAUP database
5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone 44260043 Click to see COC1=C(C=C(C(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O)O 376.30 unknown via CMAUP database
5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone 44258626 Click to see COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O 346.30 unknown via CMAUP database
5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 44260085 Click to see COC1=C(C=C(C(=C1)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O 406.30 unknown via CMAUP database
5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone 21599528 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O 390.30 unknown via CMAUP database
5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone 5352085 Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC 420.40 unknown via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone 5386962 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)O 376.30 unknown via CMAUP database
5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone 44260072 Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC 406.30 unknown via CMAUP database
5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone 11383767 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)OC)OC)O 392.30 unknown via CMAUP database
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 44260071 Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O 406.30 unknown via CMAUP database
5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone 21676159 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC 420.40 unknown via CMAUP database
5,7,4'-Trihydroxy-3,8-dimethoxyflavone 13983738 Click to see COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O 330.29 unknown via CMAUP database
Agecorynin D 14162688 Click to see COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O)O 390.30 unknown via CMAUP database
Calycopterin 10429470 Click to see COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)OC 374.30 unknown via CMAUP database
Conyzatin 13916282 Click to see COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC 404.40 unknown via CMAUP database
Digicitrin 10071564 Click to see COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC 434.40 unknown via CMAUP database
Fissistigmatin D 15886362 Click to see CC1(C2C1C3C(CCC3(C)C4C=C(OC5=C4C(=CC(=C5OC)OC)OC)C6=CC=CC=C6)C(CC2)(C)O)C 518.70 unknown https://doi.org/10.1271/BBB1961.52.2347
Gossypetin 3,8,3'-trimethyl ether 5386961 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O 360.30 unknown via CMAUP database
Hibiscetin 3,8,4'-trimethyl ether 44260037 Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O 376.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
9-methoxy-7-[2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one 10072136 Click to see COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4OC5C(C(C(CO5)O)O)O 444.40 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
9-methoxy-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one 10435021 Click to see COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4OC5C(C(C(C(O5)CO)O)O)O 474.40 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
Betavulgarin 442668 Click to see COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O 312.27 unknown https://doi.org/10.1246/BCSJ.60.2261
https://doi.org/10.1016/S0031-9422(00)90340-6
https://doi.org/10.1016/S0040-4020(01)93389-7
Betavulgarin glucoside 131753071 Click to see COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4OC5C(C(C(C(O5)CO)O)O)O 474.40 unknown https://doi.org/10.1016/S0031-9422(00)90340-6
> Phenylpropanoids and polyketides / Phenylpropanoic acids
3-(4-Chlorophenyl)pentanedioic acid 607276 Click to see C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl 242.65 unknown via CMAUP database

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