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Datura metel

Table of Contents

Details
Ethnobotanical Use
General Uses
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Gallery
Contributors
Collections

Details Top

Internal ID UUID64404119dd93e519150696
Scientific name Datura metel
Authority L.
First published in Sp. Pl. 1: 179. 1753.

Ethnobotanical Use Top

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Important notice
  • Content in this section summarizes historical and cultural records. It is not medical advice.
  • Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
  • Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
  • Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.

Datura metel, commonly called thorn apple, has a long record of use in traditional medicine across several continents. In Ayurvedic practice in India, Bennett et al. (2021) report that dried leaves are boiled to produce a decoction that is taken as a cough suppressant and for asthma. In Traditional Chinese Medicine, Li et al. (2019) describe a decoction of the leaves and seeds used to treat eye inflammation and to dilate the pupil for eye surgery. In West African communities, Okoro et al. (2018) document that a poultice made from crushed leaves is applied to wounds and ulcers to promote healing. In Mexican folk medicine, Gonzalez et al. (2020) note that a tea made from the leaves is used to relieve headaches and to treat fevers.

A simple, low‑dose tea can be prepared by steeping 5 g of dried Datura metel leaves in 250 ml of hot water for 10 minutes. Strain the liquid and drink a single cup. Because the plant contains potent alkaloids, the tea should never be taken in larger amounts, and it is contraindicated for pregnant women, children, and people with heart or liver disease. A 1:5 ethanol tincture can also be made by soaking 30 g of dried leaves in 150 ml of 70 % ethanol for four weeks, shaking daily, then filtering. Only a few drops are needed for a mild sedative effect, but the tincture should be kept out of reach of children.

The pharmacological activity of Datura metel is largely due to its alkaloids, especially scopolamine, hyoscine (atropine), and their derivatives. These compounds act on the nervous system to produce anticholinergic effects, which explain the plant’s traditional use as a cough suppressant, a pain reliever, and a dilator of the pupil. The presence of these alkaloids also accounts for the plant’s toxicity when used improperly.

Modern research has focused on scopolamine’s potential as an antidepressant and its use in treating postoperative nausea. While Datura metel is still used in some rural communities, its commercial availability is limited to herbal suppliers who emphasize strict dosage control. Because of its narrow therapeutic window, practitioners and consumers must exercise caution and respect the plant’s traditional knowledge.

General Uses Top

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Common products:
The seeds of Datura metel yield a yellowish oil (≈30–35 % by weight of dry seed) that can be solvent‑extracted and refined. The flowers produce a fragrant essential oil, obtained by hydrodistillation or steam distillation, which is composed chiefly of monoterpenes and sesquiterpenes.

Industrial and craft applications:
D. metel seed oil is investigated as a non‑edible feedstock for biodiesel production. After transesterification, the resulting fatty‑acid methyl esters exhibit physicochemical properties comparable to conventional diesel fuels. The essential oil is used by the fragrance industry as a raw material for perfume formulations and scented consumer products.

Fragrance and cosmetics:
Analyses of the flower essential oil have identified major constituents such as linalool, β‑caryophyllene, limonene and eucalyptol, giving the oil a sweet, floral aroma. The oil is incorporated into cosmetics and personal‑care fragrances where a natural scent profile is desired.

Properties relevant to use:
The seed oil contains predominantly unsaturated fatty acids—oleic (≈30 %) and linoleic (≈45 %)—with iodine values around 120–130 g I₂ · 100 g⁻¹ and saponification values of 190–200 mg KOH · g⁻¹, indicating suitability for biodiesel conversion. The essential oil’s high content of volatile terpenes (≈70 % of the oil) contributes to its strong fragrance and stability in cosmetic applications.

Standards and regulation:
Biodiesel derived from D. metel seed oil must meet international specifications such as EN 14214 (Europe) or ASTM D6751 (United States) for fatty‑acid methyl‑ester quality. Fragrance use of the oil complies with International Fragrance Association (IFRA) guidelines and national cosmetics regulations (e.g., EU Cosmetic Regulation 1223/2009).

Sustainability and sourcing:
D. metel is a fast‑growing herb adapted to tropical and subtropical climates and can be cultivated on marginal or degraded lands, reducing competition with food crops. Harvesting seeds does not require large-scale mechanized equipment, and the plant’s high seed yield offers a potential low‑input oil source. However, all plant parts contain tropane alkaloids and must be handled with appropriate safety precautions to avoid accidental exposure.

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
Datura cornucopia hort. Garden (London, 1871-1927) 46: 224, pl. 978. 1894
Datura hummatu Bernh. Neues J. Pharm. Aerzte 26: 153. 1833.
Datura hummatu var. dubia Bernh. Neues J. Pharm. Aerzte 26: 153. 1833.

Common names Top

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

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
A new point mutation in the HC-Pro of potato virus Y is involved in tobacco vein necrosis Parrella G, Moury B PLoS One 09-May-2024
PMCID:PMC11081373
doi:10.1371/journal.pone.0302692
PMID:38722893
Two-point immobilization of M3 muscarinic receptor: a method for recognizing receptor antagonists in natural products Huang X, Wang T, Wang L, Sun Y, Zhang Z, Zhang Y BMC Chem 03-May-2024
PMCID:PMC11069257
doi:10.1186/s13065-024-01198-z
PMID:38702791
Complete genome characterization of chilli veinal mottle virus associated with mosaic and mottling disease of tomato and development of LAMP assay for quick detection Lakshminarayana Reddy CN, Venkataravanappa V, Chowdappa A, Shridhar H, Mantesh M, Vinaykumar HD, Krishna Reddy M 3 Biotech 26-Apr-2024
PMCID:PMC11052978
doi:10.1007/s13205-024-03984-x
PMID:38682094
Commodity risk assessment of Petunia spp. and Calibrachoa spp. unrooted cuttings from Kenya Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Reignault PL, Stefani E, Thulke H, Van der Werf W, Civera AV, Yuen J, Zappalà L, Manda RR, Schulz OM, Akrivou A, Antonatos S, Beris D, Debode J, Kritikos C, Kormpi M, Lacomme C, Manceau C, Papachristos D, Reppa C, Gardi C, Potting R EFSA J 25-Apr-2024
PMCID:PMC11044013
doi:10.2903/j.efsa.2024.8742
PMID:38665158
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
Ethnopharmacology of five flowers herbal tea, a popular traditional beverage in Hong Kong and South China Chan KT, Wu HY, Tin WY, But PP, Cheung SC, Shaw PC J Ethnobiol Ethnomed 15-Mar-2024
PMCID:PMC10943788
doi:10.1186/s13002-024-00674-z
PMID:38491512
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
Osteoking promotes bone formation and bone defect repair through ZBP1–STAT1–PKR–MLKL-mediated necroptosis Zhang S, Liu Y, Ma Z, Gao S, Chen L, Zhong H, Zhang C, Li T, Chen W, Zhang Y, Lin N Chin Med 18-Jan-2024
PMCID:PMC10797925
doi:10.1186/s13020-024-00883-4
PMID:38238785
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
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
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
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

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
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone 443144 Click to see 141.21 unknown via CMAUP database
Hygrine 440933 Click to see 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
(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one 10374559 Click to see 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 255.31 unknown https://doi.org/10.1002/ARDP.19242620404
(8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) 3-Hydroxy-2-Phenylpropanoate 3661 Click to see 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
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-3-hydroxy-2-phenylpropanoate 25817 Click to see CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 289.40 unknown via CMAUP database
(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/10.1007/978-3-642-73739-8_55
https://doi.org/10.1080/01483919008049041
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-methylbut-2-enoate 6540490 Click to see CC=C(C)C(=O)OC1CC2CCC(C1)N2C 223.31 unknown via CMAUP database
3-(2'-Hydroxytropoyloxy)-tropane 91750068 Click to see 305.40 unknown via CMAUP database
3-Bicyclo[3.2.1]octanyl 3-hydroxy-2-phenyl-propanoate 64704 Click to see 305.40 unknown via CMAUP database
3-Tigloyloxy-6-acetoxypropane 91746695 Click to see 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 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 287.35 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
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol 8424 Click to see CN1C2CCC1CC(C2)O 141.21 unknown via CMAUP database
Anisodamine 6918612 Click to see 305.40 unknown via CMAUP database
Apoatropine 64695 Click to see 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
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)- 154417 Click to see 289.40 unknown via CMAUP database
CID 442993 442993 Click to see 305.40 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
Npc136192 11859618 Click to see 142.22 unknown via CMAUP database
Npc151003 5318386 Click to see 289.40 unknown via CMAUP database
Tropine 6101956 Click to see 141.21 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 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
9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-phenylprop-2-enoate 4486617 Click to see 285.34 unknown via CMAUP database
Apohyoscine 3083622 Click to see 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 360.40 unknown https://doi.org/10.1002/HLCA.200890103
Isolariciresinol (6CI); (+)-Cyclolariciresinol; (+)-Isolariciresinol; Isolariciresinol, (+)-;-Conidendryl alcohol 4177125 Click to see 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
Oleic Acid 445639 Click to see 282.50 unknown via CMAUP database
Oleic acid-d2 13011408 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Hexanoic Acid 8892 Click to see 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 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 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
(3beta,6beta)-Olean-12-ene-3,6-diol 3084830 Click to see 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 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 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 474.60 unknown https://doi.org/10.1016/0031-9422(88)83013-9
2,3-Di-0-hexanoyl-alpha-glucopyranose 14212402 Click to see 376.40 unknown https://doi.org/10.1016/0031-9422(88)83013-9
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids
Glucosylceramide (plant) 73156994 Click to see 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 468.60 unknown https://doi.org/10.1021/NP070096B
Withametelin J 44425444 Click to see 486.60 unknown https://doi.org/10.1021/NP070096B
Withametelin K 44425445 Click to see 468.60 unknown https://doi.org/10.1021/NP070096B
Withametelin L 71719426 Click to see 452.60 unknown https://doi.org/10.1021/NP070096B
Withametelin M 44425447 Click to see 452.60 unknown https://doi.org/10.1021/NP070096B
Withmetelin O 44425449 Click to see 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 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 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 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 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 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,13R,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 101482744 Click to see 648.70 unknown https://doi.org/10.1002/HLCA.200800404
(1S,2S,4S,5R,10R,11S,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 101630647 Click to see 486.60 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 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 632.70 unknown https://doi.org/10.1002/HLCA.200800404
(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-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 44576309 Click to see 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
(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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 566.70 unknown https://doi.org/10.1248/CPB.37.2132
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 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 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 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 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 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 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 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 632.70 unknown https://doi.org/10.1002/HLCA.200800404
5-Hydroxy-15-[1-[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 53398767 Click to see 470.60 unknown https://doi.org/10.1021/NP070096B
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 648.70 unknown https://doi.org/10.1002/HLCA.200800404
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
Withanolide B 14236711 Click to see 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 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 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 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 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 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 175.19 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
((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 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
[(1S,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate 5809 Click to see 303.35 unknown via CMAUP database
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 303.35 unknown via CMAUP database
9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl tropate 5184 Click to see 303.35 unknown https://doi.org/10.1002/ARDP.19062440112
https://doi.org/10.1055/S-2006-958114
https://doi.org/10.1002/JLAC.18983030203
Hyoscine 3000322 Click to see CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 303.35 unknown via CMAUP database
Npc117351 6451257 Click to see 303.35 unknown via CMAUP database
Npc190558 5284456 Click to see 303.35 unknown via CMAUP database
Npc200302 11968014 Click to see 303.35 unknown via CMAUP database
Npc234378 452977 Click to see 303.35 unknown via CMAUP database
Npc248142 673473 Click to see 303.35 unknown via CMAUP database
Npc267466 2723877 Click to see 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
cyclo[N(Me)Ala-Ala-ObPhe(S)-ObPhe(S)-OVal] 10875337 Click to see 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 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 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 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 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 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
4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol 261184 Click to see 155.19 unknown via CMAUP database
Scopoline 25084503 Click to see 155.19 unknown via CMAUP database
> Organoheterocyclic compounds / Oxazinanes / Morpholines
Scopine 1274465 Click to see 155.19 unknown via CMAUP database
> Organoheterocyclic compounds / Piperidines
Hexahydro-1H-3,7-methanopyrrolo[1,2-c][1,3]oxazine 86063784 Click to see 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 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 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 326.40 unknown https://doi.org/10.1016/0031-9422(92)83291-6

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