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Datura metel

Datura metel - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Datura metel - 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 UUID64404119dd93e519150696
Scientific name Datura metel
Authority L.
First published in Sp. Pl. 1: 179. 1753.

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Brugmansia waymanni Paxton Paxton's Mag. Bot. 4: t. 241. 1838
Datura alba Nees Trans. Linn. Soc. London 17(1): 73. 1834 [1837 publ. 26 Apr-8 May 1834]
Datura alba var. africanum Mattei Bull. Orto Bot. Palermo 7: 108. 1908.
Datura bojeri Delile Ind. Sem. Hort. Monsp. (1836) 23; et in Ann. Sc. Nat. Ser. II. vii. (1837) 286.
Datura fastuosa L. Syst. Nat., ed. 10. 2: 932. 1759 [7 Jun 1759]
Datura fastuosa var. alba (Nees) C.B.Clarke Fl. Brit. India 4: 243. 1883.
Datura metel Mill. Gard. Dict., ed. 8. n. 3. 1768 [16 Apr 1768]
Datura nilhummatu Dunal Prodr. [A. P. de Candolle] 13(1): 542. 1852 [10 May 1852]
Stramonium fastuosum Moench Methodus (Moench) 456. 1794 [4 May 1794]
Stramonium metel (L.) Moench Methodus (Moench) 456. 1794 [4 May 1794]
Datura hummatu var. rubra Bernh. Neues J. Pharm. Aerzte 26: 153. 1833.
Datura hummatu var. fastuosa (L.) Bernh. Neues J. Pharm. Aerzte 26: 153. 1833.
Datura cornucopia J.R.Pitcher & Manda

Common names Top

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Language Common/alternative name
Spanish stramonium datura
Arabic جوز ماثل
Arabic داتوره
Arabic بنج
Arabic داتورا ماثلة
Assamese ধতুৰা
Azerbaijani hindistan dəlibəngi
ban kacubung
Bulgarian индийски татул
Bengali ধুতুরা
Bengali ধুতরো
Persian داتورا متل
French métel
Indonesian kecubung
Japanese キチガイナスビ
Japanese マンダラゲ
Japanese 曼陀羅華
Japanese 朝鮮朝顔
Japanese チョウセンアサガオ
jv kembang kecubung
Korean 흰독말풀
mad kacobhung
Malayalam ഉമ്മത്ത്
Malayalam ഉമ്മം
Malay pokok kecubung
Malay kecubung
pam talampune
Polish bieluń surmikwiat
Russian Дурман индийский
su kucubung
Swedish indisk spikklubba
Tamil ஊமத்தை
Thai ลำโพงกาสลัก
Vietnamese cà độc dược
Chinese 曼陀罗子
Chinese 曼陀罗叶
Chinese 曼陀罗根
Chinese 曼陀羅
Chinese 洋金花
Chinese 枫茄花
Chinese 白花曼陀罗
Chinese 喇叭花
Chinese 闹羊花
Chinese 洋金花(白曼陀罗、白花曼陀罗）
Chinese 枫茄子
Chinese 白曼陀罗
Chinese 风茄花

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

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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Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • East Tropical Africa
      • Kenya
      • Tanzania
      • Uganda
    • Macaronesia
      • Canary Islands
      • Cape Verde
      • Madeira
    • Northeast Tropical Africa
      • Chad
      • Ethiopia
      • Socotra
      • Somalia
      • Sudan
    • Northern Africa
      • Algeria
      • Egypt
      • Libya
      • Morocco
      • Tunisia
    • South Tropical Africa
      • Angola
      • Malawi
      • Mozambique
      • Zimbabwe
    • Southern Africa
      • Botswana
      • Kwazulu-Natal
      • Northern Provinces
    • West Tropical Africa
      • Benin
      • Gambia
      • Ghana
      • Guinea
      • Guinea-Bissau
      • Ivory Coast
      • Mali
      • Mauritania
      • Nigeria
      • Senegal
      • Sierra Leone
    • West-central Tropical Africa
      • Cameroon
      • Central African Republic
      • Equatorial Guinea
      • Gulf Of Guinea Islands
      • Zaïre
    • Western Indian Ocean
      • Aldabra
      • Comoros
      • Madagascar
      • Mauritius
      • Rodrigues
      • Réunion
      • Seychelles
  • Asia-temperate
    • Arabian Peninsula
      • Gulf States
      • Oman
      • Saudi Arabia
      • Yemen
    • China
      • China South-central
      • China Southeast
      • Hainan
    • Eastern Asia
      • Korea
      • Taiwan
    • Western Asia
      • Afghanistan
      • Lebanon-Syria
      • Sinai
      • Turkey
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • East Himalaya
      • India
      • Laccadive Islands
      • Maldives
      • Nepal
      • Pakistan
      • Sri Lanka
      • West Himalaya
    • Indo-China
      • Andaman Islands
      • Cambodia
      • Laos
      • Myanmar
      • Nicobar Nicobar
      • South China Sea
      • Thailand
      • Vietnam
    • Malesia
      • Christmas Island
      • Jawa
      • Lesser Sunda Islands
      • Philippines
      • Sulawesi
    • Papuasia
      • Bismarck Archipelago
      • New Guinea
  • Australasia
    • Australia
      • New South Wales
      • Northern Territory
      • Queensland
      • South Australia
      • Western Australia
  • Europe
    • Eastern Europe
      • South European Russia
    • Southwestern Europe
      • Sardegna
  • Northern America
    • Mexico
      • Mexico Central
      • Mexico Northeast
      • Mexico Southeast
      • Mexico Southwest
    • Northeastern U.S.A.
      • New York
    • South-central U.S.A.
      • Texas
    • Southeastern U.S.A.
      • Florida
  • Pacific
    • North-central Pacific
      • Hawaii
    • Northwestern Pacific
      • Caroline Islands
      • Marianas
    • South-central Pacific
      • Cook Islands
      • Society Islands
      • Tuamotu
      • Tubuai Islands
    • Southwestern Pacific
      • Fiji
      • Gilbert Islands
      • New Caledonia
      • Niue
      • Vanuatu
  • Southern America
    • Brazil
      • Brazil Northeast
    • Caribbean
      • Aruba
      • Bahamas
      • Cuba
      • Dominican Republic
      • Haiti
      • Jamaica
      • Leeward Islands
      • Netherlands Antilles
      • Puerto Rico
      • Trinidad-Tobago
      • Venezuelan Antilles
      • Windward Islands
    • Central America
      • Costa Rica
      • Honduras
      • Panamá
    • Northern South America
      • Venezuela
    • Western South America
      • Bolivia
      • Colombia

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0001021339
UNII 7MTG01967P
Florida Plant Atlas 4255
Canadensys 28830
Tropicos 29600006
INPN 94484
KEW urn:lsid:ipni.org:names:314739-2
The Plant List kew-2757816
Missouri Botanical Garden 287149
PFAF Datura metel
Open Tree Of Life 689835
Observations.org 134028
NCBI Taxonomy 35625
NBN Atlas NBNSYS0200003737
Nature Serve 2.156252
IPNI 314739-2
iNaturalist 48602
GBIF 2928747
Freebase /m/088_dx
EPPO DATME
Elurikkus 336456
USDA GRIN 13315
Wikipedia Datura_metel
CMAUP NPO24850

Genomes (via NCBI) Top

No reference genome is available on NCBI yet. We are constantly monitoring for new data.

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
Discontinuous Translocation of a Luciferase Protein beyond Graft Junction in Tobacco Miyahara T, Ohkubo H, Umeyama Y, Oguchi T, Ogawa T, Ohta D, Mochizuki T, Kodama H Food Saf (Tokyo) 22-Mar-2024
PMCID:PMC10961615
doi:10.14252/foodsafetyfscj.D-23-00010
PMID:38532775
Discontinuous Translocation of a Luciferase Protein beyond Graft Junction in Tobacco Miyahara T, Ohkubo H, Umeyama Y, Oguchi T, Ogawa T, Ohta D, Mochizuki T, Kodama H Food Saf (Tokyo) 22-Mar-2024
PMCID:PMC10961611
doi:10.14252/foodsafetyfscj.D-23-00010
PMID:38532772
A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery Gaudry A, Pagni M, Mehl F, Moretti S, Quiros-Guerrero LM, Cappelletti L, Rutz A, Kaiser M, Marcourt L, Queiroz EF, Ioset JR, Grondin A, David B, Wolfender JL, Allard PM ACS Cent Sci 20-Feb-2024
PMCID:PMC10979503
doi:10.1021/acscentsci.3c00800
PMID:38559298
Exploring the benefits of wild plants in dietary nutrition: investigating perspectives, choices, health impacts and sustainable practices Anwar T, Qureshi H, Shahzadi S, Siddiqi EH, Ali HM, Abdelhamid MM, Nazim M BMC Complement Med Ther 14-Feb-2024
PMCID:PMC10865668
doi:10.1186/s12906-024-04379-4
PMID:38355544
The In Vitro Inhibitory Activity of Pacaya Palm Rachis versus Dipeptidyl Peptidase-IV, Angiotensin-Converting Enzyme, α-Glucosidase and α-Amylase Bernardino-Nicanor A, Fernández-Avalos S, Juárez-Goiz JM, Montañez-Soto JL, González-Cruz L Plants (Basel) 29-Jan-2024
PMCID:PMC10856824
doi:10.3390/plants13030400
PMID:38337933
Eco-friendly approaches to phytochemical production: elicitation and beyond Jalota K, Sharma V, Agarwal C, Jindal S Nat Prod Bioprospect 10-Jan-2024
PMCID:PMC10776560
doi:10.1007/s13659-023-00419-7
PMID:38195902
Tailoring the Structural and Optical Properties of Cerium Oxide Nanoparticles Prepared by an Ecofriendly Green Route Using Plant Extracts Fifere N, Ardeleanu R, Doroftei F, Dobromir M, Airinei A Int J Mol Sci 04-Jan-2024
PMCID:PMC10779659
doi:10.3390/ijms25010681
PMID:38203851
Selection of a Digitalis purpurea Cell Line with Improved Bioconversion Capacity of Hydroquinone into Arbutin Pop CE, Coste A, Vlase AM, Deliu C, Tămaș M, Casian T, Vlase L Life (Basel) 04-Jan-2024
PMCID:PMC10820698
doi:10.3390/life14010084
PMID:38255699
Three-membered ring formation catalyzed by α-ketoglutarate-dependent nonheme iron enzymes Ushimaru R J Nat Med 19-Nov-2023
PMCID:PMC10764440
doi:10.1007/s11418-023-01760-4
PMID:37980694
Anti-Diabetic Effects of the 80% Methanolic Extract of Datura Stramonium Linn (Solanaceae) Leaves in Streptozotocin- Induced Diabetic Mice Baylie T, Kebad A, Ayelgn T, Tiruneh M, Hunie Tesfa K J Exp Pharmacol 18-Oct-2023
PMCID:PMC10590592
doi:10.2147/JEP.S426925
PMID:37873553
The Green Synthesis of Silver Nanoparticles from Avena fatua Extract: Antifungal Activity against Fusarium oxysporum f.sp. lycopersici Qureshi AK, Farooq U, Shakeel Q, Ali S, Ashiq S, Shahzad S, Tariq M, Seleiman MF, Jamal A, Saeed MF, Manachini B Pathogens 16-Oct-2023
PMCID:PMC10609796
doi:10.3390/pathogens12101247
PMID:37887762
Electrospun Scaffolds as Antimicrobial Herbal Extract Delivery Vehicles for Wound Healing Ersanli C, Voidarou C(, Tzora A, Fotou K, Zeugolis DI, Skoufos I J Funct Biomater 19-Sep-2023
PMCID:PMC10532143
doi:10.3390/jfb14090481
PMID:37754895
Efficacy of extracts from Datura Metel L. for Psoriasis: a meta-analysis of case series and single-arm studies Sang X, Bi H, Si X, Wang Y, Shi X, Wu F BMC Complement Med Ther 14-Sep-2023
PMCID:PMC10500872
doi:10.1186/s12906-023-04159-6
PMID:37710189
Ethnobotanical study on medicinal plants used by Bulang people in Yunnan, China Zhou H, Zhang J, Kirbis BS, Mula Z, Zhang W, Kuang Y, Huang Q, Yin L J Ethnobiol Ethnomed 07-Sep-2023
PMCID:PMC10486041
doi:10.1186/s13002-023-00609-0
PMID:37679773
Hairy root culture: a potent method for improved secondary metabolite production of Solanaceous plants Biswas D, Chakraborty A, Mukherjee S, Ghosh B Front Plant Sci 04-Sep-2023
PMCID:PMC10507345
doi:10.3389/fpls.2023.1197555
PMID:37731987

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
(-)-Hygrine 443144 Click to see CC(=O)CC1CCCN1C 141.21 unknown via CMAUP database
Hygrine 440933 Click to see CC(=O)CC1CCCN1C 141.21 unknown via CMAUP database
> Alkaloids and derivatives / Tropane alkaloids
(+)-Hyoscyamine 637577 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]octan-3beta-ol 6101956 Click to see CN1C2CCC1CC(C2)O 141.21 unknown via CMAUP database
(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one 10374559 Click to see CN1C2CCC1CC(=O)C2 142.21 unknown via CMAUP database
(6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methylbut-2-enoate 4486823 Click to see CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)O)O 255.31 unknown https://doi.org/10.1002/ARDP.19242620404
(S)-((1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate 6931560 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown https://doi.org/10.1080/01483919008049041
https://doi.org/10.1007/978-3-642-73739-8_55
[(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate 442993 Click to see CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 305.40 unknown via CMAUP database
3-(2'-Hydroxytropoyloxy)-tropane 91750068 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)(C3=CC=CC=C3)O 305.40 unknown via CMAUP database
3-Tigloyloxy-6-acetoxypropane 91746695 Click to see CC=C(C)C(=O)OC1CC2CC(C(C1)N2C)O 239.31 unknown via CMAUP database
3,6-Ditigloyloxytropan-7-ol 12960452 Click to see CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O 337.40 unknown via CMAUP database
3beta-Hydroxy-6beta-tigloyloxytropane 91750079 Click to see CC=C(C)C(=O)OC1CC2CC(CC1N2C)O 239.31 unknown via CMAUP database
6-Hydroxy-8-methyl-7-(propanoyloxy)-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate 91700480 Click to see CCC(=O)OC1C2CC(CC(C1O)N2C)OC(=O)C(=CC)C 311.37 unknown via CMAUP database
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacrylate 91700478 Click to see CN1C2CC(CC1C(C2)O)OC(=O)C(=C)C3=CC=CC=C3 287.35 unknown via CMAUP database
6-Hydroxyhyoscyamine 64704 Click to see CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 305.40 unknown via CMAUP database
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(acetyloxy)-2-phenylpropanoate 15558241 Click to see CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C 331.40 unknown via CMAUP database
Anisodamine 6918612 Click to see CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 305.40 unknown via CMAUP database
Apoatropine 64695 Click to see CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 271.35 unknown via CMAUP database
Atropine 174174 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1007/978-3-642-73739-8_55
Atropine sulfate 3661 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown https://doi.org/10.1002/JLAC.18983030203
https://doi.org/10.1002/ARDP.19102480902
https://doi.org/10.1055/S-2006-958114
Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)- 25817 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
CID 6540490 6540490 Click to see CC=C(C)C(=O)OC1CC2CCC(C1)N2C 223.31 unknown via CMAUP database
Hyoscyamine 154417 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
L-Hyoscyamine 64692 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
Levsin 5318386 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
Pseudotropine 8424 Click to see CN1C2CCC1CC(C2)O 141.21 unknown via CMAUP database
Pseudotropinium 11859618 Click to see C[NH+]1C2CCC1CC(C2)O 142.22 unknown via CMAUP database
Tropine 449293 Click to see CN1C2CCC1CC(C2)O 141.21 unknown via CMAUP database
Tropinone 79038 Click to see CN1C2CCC1CC(=O)C2 139.19 unknown via CMAUP database
> Alkaloids and derivatives / Tropane alkaloids / Phenyltropanes
Datumetine 181868 Click to see CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC 275.34 unknown https://doi.org/10.1021/NP50045A023
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
[5,9-Dihydroxy-6,20,22-trimethoxy-17-(methoxymethyl)-10,14-dimethyl-14-azahexacyclo[9.9.2.12,5.01,12.03,10.017,21]tricosan-4-yl] benzoate 53399238 Click to see CC12C(CCC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6CN(CC7)C)OC)COC)OC)O)OC)O 627.80 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
O-(4-Hydroxybenzoyl)tropine, O-methyl- 5316307 Click to see CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)OC 275.34 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
[(1R,2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate 6419932 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 285.34 unknown via CMAUP database
Apohyoscine 3083622 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 285.34 unknown via CMAUP database
Aposcopolamin 4486617 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 285.34 unknown via CMAUP database
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
(2R,3R,4R)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol 11631864 Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1002/HLCA.200890103
Isolariciresinol (6CI); (+)-Cyclolariciresinol; (+)-Isolariciresinol; Isolariciresinol, (+)-;-Conidendryl alcohol 4177125 Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1002/HLCA.200890103
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
3alpha-Hydroxy-6beta-tigloyloxytropane 91750074 Click to see CC=C(C)C(=O)OCN1C2CC1CC(C2)O 225.28 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(Z)-9,10-dideuteriooctadec-9-enoic acid 13011408 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 284.50 unknown via CMAUP database
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Caproic Acid 8892 Click to see CCCCCC(=O)O 116.16 unknown https://doi.org/10.1002/ARDP.19262640805
> 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 via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
Retinol 445354 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C 286.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
Daucene 177773 Click to see CC1=CCC2(CCC(=C2CC1)C(C)C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
Ineleganolide 10544394 Click to see CC(=C)C1CC2C3C4C(CC5(C4C(=O)C(C2C(=O)C1)O5)C)OC3=O 330.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1248/CPB.35.4359
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
(3aS,5aS,8R,8aR,9aS)-8-hydroxy-5,8-dimethyl-1-methylidene-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one 162969130 Click to see CC1=CC2C(CC3C1CCC3(C)O)C(=C)C(=O)O2 248.32 unknown https://doi.org/10.1016/0031-9422(92)83291-6
https://doi.org/10.1002/HLCA.200790159
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
Daturadiol 3084830 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)C2C1)C)C)C 442.70 unknown https://doi.org/10.1021/NP0700927
> Lipids and lipid-like molecules / Saccharolipids
[(2R,3R,4S,5R,6R)-2,3-di(hexanoyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hexanoate 14212405 Click to see CCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCC)OC(=O)CCCCC)CO)O 474.60 unknown https://doi.org/10.1016/0031-9422(88)83013-9
[(2S,3R,4S,5R,6R)-3-hexanoyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hexanoate 14212403 Click to see CCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCC)O)CO)O 376.40 unknown https://doi.org/10.1016/0031-9422(88)83013-9
[2,3-Di(hexanoyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hexanoate 14212404 Click to see CCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCC)OC(=O)CCCCC)CO)O 474.60 unknown https://doi.org/10.1016/0031-9422(88)83013-9
2,3-Di-0-hexanoyl-alpha-glucopyranose 14212402 Click to see CCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCC)O)CO)O 376.40 unknown https://doi.org/10.1016/0031-9422(88)83013-9
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide 73156994 Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O 714.00 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines
Soyacerebroside II 15599558 Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O 714.00 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(6S,7S,12S,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol 50986194 Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,4S,5S,10S,13R,14R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol 25203494 Click to see CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones
(10R,13S)-10,13-dimethyl-17-(1-methyl-7,8-dioxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3-sulfonic acid 5316312 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=O)C)CC=C6C3(C(=O)CC(C6)S(=O)(=O)O)C 520.60 unknown via CMAUP database
(1R,4R,5R,8R)-8-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 162984083 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C 468.60 unknown https://doi.org/10.1248/CPB.37.2132
(1R,4S,5R,8R)-4-(hydroxymethyl)-5-methyl-8-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2,6-dioxabicyclo[3.3.1]nonan-3-one 101862359 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2CO 504.60 unknown https://doi.org/10.1002/HLCA.200890103
(1R,4S,5R,8R)-4-(methoxymethyl)-5-methyl-8-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2,6-dioxabicyclo[3.3.1]nonan-3-one 101862358 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2COC 518.60 unknown https://doi.org/10.1002/HLCA.200890103
(1R,5R,8R)-5-methyl-4-methylidene-8-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2,6-dioxabicyclo[3.3.1]nonan-3-one 16757093 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2=C 486.60 unknown https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 71664733 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6(C3(C(=O)C=CC6)C)O)O 470.60 unknown https://doi.org/10.1002/HLCA.200890103
https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(5S,6S,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 16757090 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6(C3(C(=O)C=CC6)C)O)O 470.60 unknown https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(6R,8S,9S,10R,12R,13S,14S,17R)-6,12-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 16756994 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6=CC=CC(=O)C56C)O)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(6R,8S,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 14283157 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6=CC=CC(=O)C36C)O 452.60 unknown https://doi.org/10.1021/NP50074A042
https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(8S,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 16756995 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)CC=C6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(8S,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 16757186 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)C=CC6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
(1R,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 101588714 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C 468.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1248/CPB.37.2132
(1R,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 10873797 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)C=CC6)C 436.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
(1R,5R,8R)-8-[(8S,9S,13S,14S,17R)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 163093210 Click to see CC1=C2CCC3C(C2=CC=C1)CCC4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C 420.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
(1R,5S,7R)-7-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 163029912 Click to see CC12CCC3C(C1CCC2C4CC5CC(O4)(C(=C)C(=O)O5)C)CC=C6C3(C(=O)C=CC6)C 436.60 unknown https://doi.org/10.1016/S0031-9422(00)83898-4
(1S,2R,5R,7S,9R,11S,12S,15R,16S)-5-methoxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 101131179 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)OC)C)O6 484.60 unknown https://doi.org/10.1016/0031-9422(95)00699-0
(1S,2R,5S,7S,9R,11S,12S,15R,16S)-5-hydroxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 16757187 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)O)C)O6 470.60 unknown https://doi.org/10.1021/NP070096B
(1S,2R,7S,9R,11S,12S,15R,16S,17R)-17-hydroxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 16756993 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC6C7(C5(C(=O)C=CC7)C)O6)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R,4R,5R,8R)-8-(hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 101131178 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC6C7(C3(C(=O)C=CC7)C)O6 470.60 unknown https://doi.org/10.1016/0031-9422(93)85378-5
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R,4R,5R,8R)-8-(hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 163076819 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC6C7(C3(C(=O)CCC7)C)O6 472.60 unknown https://doi.org/10.1016/0031-9422(93)85378-5
(1S,2R,7S,9R,11S,12S,15R,16S)-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 14283156 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)C=CC7)C)O6 452.60 unknown https://doi.org/10.1021/NP070096B
(1S,4R,5S,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 162980084 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC=C6C3(C(=O)C=CC6)C 454.60 unknown https://doi.org/10.3987/COM-87-4247
(1S,4S,5S,8R)-8-[(8S,9R,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 162984082 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C 468.60 unknown https://doi.org/10.1055/S-2006-962509
(1S,5S,7S,9R,11S,12S)-5-hydroxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 76336754 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)O)C)O6 470.60 unknown https://doi.org/10.1021/NP070096B
(1S,5S,8R)-8-[(10R,13S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 5316306 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C 468.60 unknown via CMAUP database
(1S,5S)-8-[(10R,13S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 5316315 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC=C6C3(C(=O)C=CC6)C 454.60 unknown https://doi.org/10.3987/COM-87-4247
[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate 14428172 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)CC(C6)OS(=O)(=O)O)C 534.70 unknown https://doi.org/10.1248/CPB.37.2132
[10,13-Dimethyl-17-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate 14428171 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)CC(C6)OS(=O)(=O)O)C 534.70 unknown https://doi.org/10.1248/CPB.37.2132
15-[8-(Hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 163027786 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC6C7(C3(C(=O)C=CC7)C)O6 470.60 unknown https://doi.org/10.1016/0031-9422(93)85378-5
15-[8-(Hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 163076818 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC6C7(C3(C(=O)CCC7)C)O6 472.60 unknown https://doi.org/10.1016/0031-9422(93)85378-5
17-Hydroxy-2,16-dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 73323992 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC6C7(C5(C(=O)C=CC7)C)O6)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
2,16-Dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 14283153 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)C=CC7)C)O6 452.60 unknown https://doi.org/10.1021/NP070096B
4-(hydroxymethyl)-5-methyl-8-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one 162923479 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2CO 504.60 unknown https://doi.org/10.1002/HLCA.200890103
4-(methoxymethyl)-5-methyl-8-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one 162879650 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2COC 518.60 unknown https://doi.org/10.1002/HLCA.200890103
5-Hydroxy-2,16-dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 73324093 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)O)C)O6 470.60 unknown https://doi.org/10.1021/NP070096B
5-Methoxy-2,16-dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 162991061 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)OC)C)O6 484.60 unknown https://doi.org/10.1016/0031-9422(95)00699-0
5-methyl-4-methylidene-8-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one 73324039 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2=C 486.60 unknown https://doi.org/10.1021/NP070096B
7-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 163029911 Click to see CC12CCC3C(C1CCC2C4CC5CC(O4)(C(=C)C(=O)O5)C)CC=C6C3(C(=O)C=CC6)C 436.60 unknown https://doi.org/10.1016/S0031-9422(00)83898-4
8-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-4-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 74026205 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5CO)C)CC=C6C3(C(=O)C=CC6)C 454.60 unknown https://doi.org/10.3987/COM-87-4247
8-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 14428166 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C 468.60 unknown https://doi.org/10.1248/CPB.37.2132
https://doi.org/10.1055/S-2006-962509
8-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylene-2,6-dioxabicyclo[3.3.1]nonan-3-one 494784 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)C=CC6)C 436.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1016/S0031-9422(97)00718-8
https://doi.org/10.1016/0031-9422(93)85378-5
8-(12-Hydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 73323994 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)CC=C6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
8-(12-Hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 73324092 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)C=CC6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
8-(5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 73324036 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6(C3(C(=O)C=CC6)C)O)O 470.60 unknown https://doi.org/10.1002/HLCA.200890103
https://doi.org/10.1021/NP070096B
8-(6-Hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 14283158 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6=CC=CC(=O)C36C)O 452.60 unknown https://doi.org/10.1021/NP070096B
8-(6,12-Dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one 73323993 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6=CC=CC(=O)C56C)O)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
Withametelin 71718229 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)C=CC6)C 436.60 unknown https://doi.org/10.1016/S0040-4039(00)96036-2
https://doi.org/10.1016/S0031-9422(97)00718-8
https://doi.org/10.1016/S0040-4020(01)80076-4
https://doi.org/10.1248/CPB.35.4359
Withametelin I 44425443 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC6C7(C5(C(=O)C=CC7)C)O6)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
Withametelin J 44425444 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2=C 486.60 unknown https://doi.org/10.1021/NP070096B
Withametelin K 44425445 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6=CC=CC(=O)C56C)O)O)C)OC(=O)C2=C 468.60 unknown https://doi.org/10.1021/NP070096B
Withametelin L 71719426 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)C=CC6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
Withametelin M 44425447 Click to see CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC=C6C5(C(=O)CC=C6)C)O)C)OC(=O)C2=C 452.60 unknown https://doi.org/10.1021/NP070096B
Withmetelin O 44425449 Click to see CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC(C6(C3(C(=O)C=CC6)C)O)O 470.60 unknown https://doi.org/10.1021/NP070096B
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Withanolides and derivatives
(10R,13S)-17-[2-hydroxy-1-[5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3-sulfonic acid 5316311 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)CC(C5)S(=O)(=O)O)C)C)COC 550.70 unknown via CMAUP database
(10R,14R)-15-[(1S)-1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione 5315322 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(=O)CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)C 468.60 unknown via CMAUP database
(1R,2S,4S,5R,10R,11S,13R,14R,15R,17R,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13,17-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 162927734 Click to see CC1=C(C(=O)OC(C1)C(C)C2CC(C3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)O)C 486.60 unknown https://doi.org/10.1002/HLCA.200790159
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxyethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 15251502 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6)C)O5)C)C 456.60 unknown https://doi.org/10.1021/NP070096B
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-2-hydroxy-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 162877211 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)CO 470.60 unknown https://doi.org/10.1021/NP070096B
(1S,2S,4S,5R,10R,11R,13R,14R,15R,18S)-5,13-dihydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 162849001 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)CO 486.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
(1S,2S,4S,5R,10R,11R,14R,15R,18S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 162971022 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)C 454.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
(1S,2S,4S,5R,10R,11S,13S,14R,15R,18S)-5,13-dihydroxy-10,14-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 101482745 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)COC7C(C(C(C(O7)CO)O)O)O 648.70 unknown https://doi.org/10.1002/HLCA.200800404
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-15-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 101482746 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)COC7C(C(C(C(O7)CO)O)O)O 632.70 unknown https://doi.org/10.1002/HLCA.200800404
(2R)-2-[(1R)-1-[(5R,6R,8R,9R,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162988723 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)C 472.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
(2R)-2-[(1R)-1-[(5R,6R,8R,9S,10R,13S,14S,17S)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one 162950411 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO 488.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 101630645 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)C 474.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 16757091 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC6C(C(C(C(O6)CO)O)O)O 650.80 unknown https://doi.org/10.1021/NP070096B
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 101630646 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)C 472.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one 102317091 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO 488.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 101131180 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC 502.60 unknown https://doi.org/10.1016/0031-9422(95)00699-0
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 14428176 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 616.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1248/CPB.35.4359
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 163025412 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 616.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 11762427 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC 468.60 unknown https://doi.org/10.1016/S0031-9422(00)97845-2
https://doi.org/10.1248/CPB.37.2132
(2R)-2-[(1R)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 101862360 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)CCC5)C)O)O)O)C)C 490.60 unknown https://doi.org/10.1002/HLCA.200890103
(2R)-2-[(1R)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 163195472 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)C 488.60 unknown https://doi.org/10.1002/HLCA.200890103
(2R)-2-[(1S)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 163189465 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)C 474.60 unknown https://doi.org/10.1002/HLCA.200790159
(2R)-2-[(1S)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one 162950412 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO 488.60 unknown https://doi.org/10.1002/HLCA.200790159
(2R)-2-[(1S)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 101592187 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 600.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1248/CPB.35.4359
(2R)-2-[(1S)-2-hydroxy-1-[(5R,6R,8R,9S,10R,13R,14S,15R,17R)-5,6,15-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162855911 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CC(C3C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)O)C 490.60 unknown https://doi.org/10.1002/HLCA.200790159
(2R)-2-[(1S)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 163009432 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)COC 518.60 unknown https://doi.org/10.1002/HLCA.200790159
(2R)-5-(hydroxymethyl)-2-[(1R)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one 15837750 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)CO 504.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
https://doi.org/10.1002/HLCA.200890103
(2S)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 163043634 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC6C(C(C(C(O6)CO)O)O)O 650.80 unknown https://doi.org/10.1021/NP070096B
[(3S,8S,9S,10R,13S,14S,17R)-17-[(1R)-2-hydroxy-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate 162994066 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)CC(C5)OS(=O)(=O)O)C)C)COC 566.70 unknown https://doi.org/10.1248/CPB.37.2132
[17-[2-Hydroxy-1-[5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate 14428173 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)CC(C5)OS(=O)(=O)O)C)C)COC 566.70 unknown https://doi.org/10.1248/CPB.37.2132
12-Deoxywithastramonolide 44576309 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO 470.60 unknown https://doi.org/10.1021/NP070096B
https://doi.org/10.1021/NP50074A042
https://doi.org/10.1016/S0367-326X(02)00310-6
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-2-hydroxyethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one 162994786 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CCC6)C)O5)C)C 456.60 unknown https://doi.org/10.1021/NP070096B
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,13,17-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 74110113 Click to see CC1=C(C(=O)OC(C1)C(C)C2CC(C3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)O)C 486.60 unknown https://doi.org/10.1002/HLCA.200790159
15-[2-Hydroxy-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 162877210 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)CO 470.60 unknown https://doi.org/10.1021/NP070096B
17-Hydroxy-15-[2-hydroxy-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one 162871327 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC5C6(C4(C(=O)C=CC6)C)O5)O)C)CO 486.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
2-[(1R)-1-[(10R,13S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 11968398 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 616.70 unknown via CMAUP database
2-[(1S)-1-[(10R,13S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 6325018 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 600.70 unknown via CMAUP database
2-[1-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 14309744 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC 468.60 unknown https://doi.org/10.1016/S0031-9422(00)97845-2
https://doi.org/10.1248/CPB.37.2132
2-[1-(10,13-Dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethyl]-4-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 74029676 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O 600.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2011.07.009
https://doi.org/10.1248/CPB.35.4359
2-[1-(5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2-hydroxy-ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one 496218 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO 488.60 unknown https://doi.org/10.1002/HLCA.200790159
2-[1-(5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl]-4-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one 73324037 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC6C(C(C(C(O6)CO)O)O)O 650.80 unknown https://doi.org/10.1021/NP070096B
2-[1-(5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162988722 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)C 472.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
2-[1-(5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 162914000 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC 502.60 unknown https://doi.org/10.1016/0031-9422(95)00699-0
2-[2-hydroxy-1-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162921839 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)CCC5)C)O)O)O)C)C 490.60 unknown https://doi.org/10.1002/HLCA.200890103
2-[2-hydroxy-1-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162844720 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)C 488.60 unknown https://doi.org/10.1002/HLCA.200890103
2-[2-hydroxy-1-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one 74110115 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)COC 518.60 unknown https://doi.org/10.1002/HLCA.200790159
2-[2-hydroxy-1-(5,6,15-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 162855910 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CC(C3C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)O)C 490.60 unknown https://doi.org/10.1002/HLCA.200790159
5-(hydroxymethyl)-2-[2-hydroxy-1-(5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4-methyl-2,3-dihydropyran-6-one 162955145 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(C(CC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)O)C)CO 504.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
https://doi.org/10.1002/HLCA.200890103
5-Hydroxy-10,14-dimethyl-15-[1-[4-methyl-6-oxo-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 163058740 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)COC7C(C(C(C(O7)CO)O)O)O 632.70 unknown https://doi.org/10.1002/HLCA.200800404
5,13-Dihydroxy-10,14-dimethyl-15-[1-[4-methyl-6-oxo-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one 162974239 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)COC7C(C(C(C(O7)CO)O)O)O 648.70 unknown https://doi.org/10.1002/HLCA.200800404
Baimantuoluoside A 101482744 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)COC7C(C(C(C(O7)CO)O)O)O 648.70 unknown https://doi.org/10.1002/HLCA.200800404
Baimantuoluoside C 53398767 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO 470.60 unknown https://doi.org/10.1021/NP070096B
CID 14236712 14236712 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)C 454.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
https://doi.org/10.1021/NP070096B
Withafastuosin E 387980 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO 488.60 unknown https://doi.org/10.1016/S0031-9422(97)00718-8
Withametelin E 101630647 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)CO 486.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
Withanolide B 14236711 Click to see CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)C 454.60 unknown https://doi.org/10.1016/0031-9422(92)83291-6
https://doi.org/10.1021/NP070096B
Withmetelin P 44425450 Click to see CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)COC6C(C(C(C(O6)CO)O)O)O 650.80 unknown https://doi.org/10.1021/NP070096B
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,4R,5R,8R)-8-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-2-yl]methyl acetate 162874990 Click to see CC(=O)OCC1C(C(C(C(O1)OCC2C(=O)OC3CC2(OCC3C4CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C 784.90 unknown https://doi.org/10.1248/CPB.37.2132
[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-[[8-(10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-4-yl] acetate 11968399 Click to see CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)OCC2C(=O)OC3CC2(OCC3C4CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)C)OC(=O)C 770.90 unknown via CMAUP database
[3,4,5-Triacetyloxy-6-[[8-(10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]methoxy]oxan-2-yl]methyl acetate 14428169 Click to see CC(=O)OCC1C(C(C(C(O1)OCC2C(=O)OC3CC2(OCC3C4CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C 784.90 unknown https://doi.org/10.1248/CPB.37.2132
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides
(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol 23304329 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CC4(C5CCC6C(C(CCC67C5(C7)CCC4(C3C(C)CCC(C(C)(C)O)O)C)OC8C(C(C(CO8)O)O)O)(C)CO)C)O)O)O)O)O)O 933.10 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3S,4S,5S,10S,13R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 25245448 Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C 426.70 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 / D-alpha-amino acids
(2R)-2-azaniumyl-5-(carbamoylamino)pentanoate 7004911 Click to see C(CC(C(=O)[O-])[NH3+])CNC(=O)N 175.19 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(-)-Scopolamine 5184 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown https://doi.org/10.1002/JLAC.18983030203
https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1002/ARDP.19062440112
(+)-Scopolamine 673473 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
[(1R,2S,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate 11968014 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate 134767951 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1080/01483919008049041
https://doi.org/10.1248/BPB.19.1086
3-Bicyclo[3.2.1]octanyl 3-hydroxy-2-phenylpropanoate 45357570 Click to see C1CC2CC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 274.35 unknown via CMAUP database
6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate 6432494 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Atroscine 452977 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Isoptpo Hyoscine 5284456 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Scopalamine 6451257 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Scopolamine 3000322 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Sdccgsbi-0051046.P002 2723877 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Transderm-V 5809 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Tropic acid ester with scopine 153311 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1002/ARDP.19062440112
https://doi.org/10.1002/JLAC.18983030203
https://doi.org/10.1248/BPB.19.1086
https://doi.org/10.1002/ARDP.19102480902
> Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides
Pitomycolide 10875337 Click to see CC1C(=O)OC(CC(=O)OC(CC(=O)OC(C(=O)N(C(C(=O)N1)C)C)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 552.60 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals / Ketals
Nigericin 34230 Click to see CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC 725.00 unknown https://doi.org/10.1002/JLAC.18983030203
https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1002/ARDP.19102480902
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
Sporidesmin 99596 Click to see CC12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O 474.00 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Delta valerolactones
(1S,9R,11R,12S,15R,16S,17R)-17-hydroxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one 16757092 Click to see CC1=C2C=CCC(=O)OC2CC3C1CC(C4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C)O 468.60 unknown https://doi.org/10.1021/NP070096B
(1S,9R,11S,12S,15R,16S)-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one 16757188 Click to see CC1=C2C=CCC(=O)OC2CC3C1CCC4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C 452.60 unknown https://doi.org/10.1021/NP070096B
1,10-seco-Withametelin B 44425456 Click to see CC1=C2C=CCC(=O)OC2CC3C1CCC4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C 452.60 unknown https://doi.org/10.1021/NP070096B
12beta-hydroxy-1,10-seco-withametelin B 44425461 Click to see CC1=C2C=CCC(=O)OC2CC3C1CC(C4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C)O 468.60 unknown https://doi.org/10.1021/NP070096B
17-Hydroxy-2,16-dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one 73324038 Click to see CC1=C2C=CCC(=O)OC2CC3C1CC(C4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C)O 468.60 unknown https://doi.org/10.1021/NP070096B
2,16-Dimethyl-15-(1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one 73324094 Click to see CC1=C2C=CCC(=O)OC2CC3C1CCC4(C3CCC4C5COC6(CC5OC(=O)C6=C)C)C 452.60 unknown https://doi.org/10.1021/NP070096B
> Organoheterocyclic compounds / Oxazepines / 1,4-oxazepines
(4S)-6-Methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol 443009 Click to see CN1C2CC3CC1C(C2O)O3 155.19 unknown via CMAUP database
(7S)-6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol 6708684 Click to see CN1C2CC3CC1C(C2O)O3 155.19 unknown via CMAUP database
Oscin 25084503 Click to see CN1C2CC3CC1C(C2O)O3 155.19 unknown via CMAUP database
Scopoline 261184 Click to see CN1C2CC3CC1C(C2O)O3 155.19 unknown via CMAUP database
> Organoheterocyclic compounds / Oxazinanes / Morpholines
Scopine 1274465 Click to see CN1C2CC(CC1C3C2O3)O 155.19 unknown via CMAUP database
> Organoheterocyclic compounds / Piperidines
Hexahydro-1H-3,7-methanopyrrolo[1,2-c][1,3]oxazine 86063784 Click to see C1CC2CC3CC1N2CO3 139.19 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Cinnamamide, p-hydroxy-N-(p-hydroxyphenethyl)- 89322 Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O 283.32 unknown https://doi.org/10.1016/0031-9422(92)83291-6
Paprazine 5372945 Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O 283.32 unknown https://doi.org/10.1016/0031-9422(92)83291-6
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
3-[(2R,3S,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 162890784 Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(O4)C(C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(00)88530-1
> Phenylpropanoids and polyketides / Macrolides and analogues
5,11-Dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one 74191769 Click to see CC1CC(C=C(C(C=CC(CCC(=O)OC1C)(C)O)OC)C)O 326.40 unknown https://doi.org/10.1016/0031-9422(92)83291-6

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