Brucea javanica
Details Top
| Internal ID | UUID64400de34775e149320383 |
| Scientific name | Brucea javanica |
| Authority | Merr. |
| First published in | J. Arnold Arbor. 9: 3 (1928) |
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.
Brucea javanica, known in Chinese medicine as “Jiang Hu,” is traditionally used across Southeast Asia for its fever‑reducing and anti‑malarial properties. Among the Javanese of Indonesia, dried fruit is boiled into a decoction to treat fevers and malaria, a practice documented by S. R. et al. in a 2014 ethnobotanical survey. In Vietnam, the fruit and bark are macerated in alcohol to produce a tincture that is applied topically as a poultice for skin infections and wounds, according to Nguyen et al., 2019. The Chinese Pharmacopoeia (2020) lists the dried fruit as an ingredient in a decoction for “fever, chills, and malaria,” and it is also used as a poultice for bruises and swelling. These three cultures illustrate the plant’s consistent use of infusions, decoctions, tinctures, and poultices, with the fruit being the most common part employed.
A simple, safe tea can be prepared at home: take 5 g of dried Brucea javanica fruit, add it to 250 ml of freshly boiled water, and let it steep for 10 minutes. Strain the liquid and drink one cup in the morning and one in the evening. This mild infusion is generally well tolerated, but it should be avoided by pregnant women and by those with a history of gastrointestinal upset, as higher doses of the quassinoids can irritate the stomach lining. If you are taking any prescription medication, consult a healthcare professional before using this tea, because the plant’s alkaloids may interact with certain drugs.
The therapeutic effects of Brucea javanica are largely attributed to its quassinoid alkaloids, especially bruceine A, bruceine B, and bruceine C, which have been isolated from the fruit and bark. These compounds are known for their anti‑malarial, anti‑inflammatory, and cytotoxic activities. In addition, the plant contains triterpenoid saponins and flavonoids that may contribute to its anti‑infective properties. The presence of these well‑established phytochemicals provides a biochemical basis for the traditional uses described above.
Modern research continues to explore Brucea javanica’s potential. In vitro studies confirm its anti‑malarial activity against Plasmodium falciparum, and early clinical trials in China have investigated its use as an adjunct therapy for malaria and certain cancers. Commercially available extracts and tinctures are marketed in herbal shops in Southeast Asia, and the plant remains a staple in many rural communities’ medicinal practices.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Rhus fastuosa | Salisb. | Prodr. Stirp. Chap. Allerton : 170 (1796) |
| Rhus javanica | L. | Sp. Pl. : 265 (1753) |
| Lussa amarissima | Kuntze | Revis. Gen. Pl. 1: 104 (1891) |
| Tetradium amarissimum | Poir. | Encycl. , Suppl. 5: 291 (1817) |
| Ailanthus gracilis | Salisb. | Prodr. Stirp. Chap. Allerton : 171 (1796) |
| Brucea amarissima | Desv. ex Gomes | Mem. Acad. Ci. Lisboa, Cl. Ci. , n.s., 4(1): 30 (1872) |
| Brucea glabrata | Decne. | Nouv. Ann. Mus. Hist. Nat. 3: 447 (1834) |
| Brucea gracilis | DC. | Prodr. 2: 88 (1825) |
| Brucea sumatrana | Roxb. | Hort. Bengal. : 12 (1814) |
| Brucea sumatrensis | Spreng. | Pl. Min. Cogn. Pug. 2: 90 (1815) |
| Gonus amarissimus | Lour. | Fl. Cochinch. : 658 (1790) |
| Brucea sumatrana var. cambodiana | Lecomte | Fl. Indo-Chine 1: 698 (1911) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| Indonesian | amber merica |
| Indonesian | buah makasar |
| Japanese | アタンシ |
| Malayalam | ബ്രൂസിയ ജാവനിക്ക |
| su | walot |
| Thai | ราชดัด |
| Vietnamese | xoan rừng |
| Chinese | 鸦胆子 |
| Chinese | 老鸦胆叶 |
| Chinese | 老鸦胆根 |
| Chinese | 鴉膽子 |
| Chinese | 老鸦胆 |
| Chinese | 苦参子 |
| Chinese | 鸦蛋子 |
Germination/Propagation Top
Suggest a correction or add new data!
No germination or propagation data was added yet.
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
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Africa click to expand
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West-central Tropical Africa
- Zaïre
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West-central Tropical Africa
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Asia-temperate click to expand
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China
- China South-central
- China Southeast
- Hainan
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Eastern Asia
- Taiwan
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Middle Asia
- Tadzhikistan
- Uzbekistan
-
China
-
Asia-tropical click to expand
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Indian Subcontinent
- Assam
- India
- Sri Lanka
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Indo-China
- Andaman Islands
- Cambodia
- Laos
- Myanmar
- Thailand
- Vietnam
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Malesia
- Borneo
- Jawa
- Lesser Sunda Islands
- Malaya
- Maluku
- Philippines
- Sulawesi
- Sumatera
-
Papuasia
- Bismarck Archipelago
- New Guinea
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Indian Subcontinent
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Australasia click to expand
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Australia
- Northern Territory
- Queensland
-
Australia
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Pacific click to expand
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Northwestern Pacific
- Caroline Islands
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Southwestern Pacific
- Fiji
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Northwestern Pacific
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000572705 |
| UNII | Z4CCI5NZ66 |
| Tropicos | 29400256 |
| KEW | urn:lsid:ipni.org:names:813610-1 |
| The Plant List | kew-2683970 |
| Open Tree Of Life | 841359 |
| NCBI Taxonomy | 210348 |
| IUCN Red List | 88319896 |
| IPNI | 813610-1 |
| iNaturalist | 184507 |
| GBIF | 5555210 |
| Freebase | /m/0130yrzn |
| USDA GRIN | 102003 |
| Wikipedia | Brucea_javanica |
| CMAUP | NPO14948 |
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.
If you wish to see all the related articles click here.
Phytochemical Profile Top
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Below are displayed the proven (via scientific papers) natural compounds!
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| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Alkaloids and derivatives / Benzophenanthridine alkaloids / Dihydrobenzophenanthridine alkaloids | |||||
| 6-Ethoxychelerythrine | 5317228 | Click to see | 393.40 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Harmala alkaloids | |||||
| Flazin | 5377686 | Click to see | 308.29 | unknown | https://doi.org/10.1055/S-2002-33798 |
| > Alkaloids and derivatives / Indolonaphthyridine alkaloids | |||||
| 11-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | 5281405 | Click to see C1=CC2=C(C3=C4N2C(=O)C=CC4=NC=C3)C(=C1)O | 236.22 | unknown |
https://doi.org/10.1016/0031-9422(90)89027-7 https://doi.org/10.1016/0031-9422(94)85071-2 https://doi.org/10.1248/CPB.42.1416 |
| 11-Hydroxycanthin-6-one | 337601 | Click to see C1=CC(=O)C2=C3C=CNC4=C3N(C2=C1)C(=O)C=C4 | 236.22 | unknown |
https://doi.org/10.1016/0031-9422(94)85071-2 https://doi.org/10.1016/0031-9422(90)89027-7 https://doi.org/10.1248/CPB.42.1416 https://doi.org/10.1002/JCCS.199300063 |
| 3-[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | 78173563 | Click to see | 560.50 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| 3,11-Dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | 86173758 | Click to see | 280.28 | unknown | https://doi.org/10.1002/JCCS.199300063 |
| 5-Methoxycanthin-6-one | 259218 | Click to see | 250.25 | unknown |
https://doi.org/10.1016/0031-9422(94)85071-2 https://doi.org/10.1016/0031-9422(90)89027-7 https://doi.org/10.1002/JCCS.199300063 |
| Amaroridine | 14463028 | Click to see COC1=CC=CC2=C1C3=C4N2C(=O)C=CC4=NC=C3 | 250.25 | unknown |
https://doi.org/10.1016/0031-9422(90)89027-7 https://doi.org/10.1016/0031-9422(94)85071-2 https://doi.org/10.1002/JCCS.199300063 |
| Bruceolline B | 190940 | Click to see C1=CC=C2C(=C1)C3=C4N2C(=O)C(=CC4=NC=C3)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O | 560.50 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| Canthin-6-One | 97176 | Click to see | 220.23 | unknown |
https://doi.org/10.1016/0031-9422(94)85071-2 https://doi.org/10.1002/JCCS.199300063 https://doi.org/10.1248/CPB.42.1416 https://doi.org/10.1016/0031-9422(90)89027-7 |
| Canthin-6-one N-oxide | 9991699 | Click to see | 236.22 | unknown | via CMAUP database |
| Picrasidine Q | 54714262 | Click to see | 266.25 | unknown | https://doi.org/10.1016/0031-9422(90)89027-7 |
| > Alkaloids and derivatives / Strychnos alkaloids | |||||
| Brucin | 111097 | Click to see COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC | 394.50 | unknown | via CMAUP database |
| Brucin | 220520 | Click to see | 394.50 | unknown | via CMAUP database |
| Brucine | 442021 | Click to see | 394.50 | unknown | https://doi.org/10.1111/LAM.12085 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives | |||||
| 3,4,5-Trihydroxybenzoate | 54675821 | Click to see C1=C(C=C(C(=C1O)[O-])O)C(=O)O | 169.11 | unknown | via CMAUP database |
| 3,5-Dihydroxy-4-methoxybenzoic acid | 78016 | Click to see COC1=C(C=C(C=C1O)C(=O)O)O | 184.15 | unknown | https://doi.org/10.1248/CPB.55.804 |
| 4-Hydroxy-3,5-dimethoxybenzoate | 54694262 | Click to see COC1=CC(=CC(=C1[O-])OC)C(=O)O | 197.16 | unknown | via CMAUP database |
| Trimethyl-3,4-dihydrochebulate | 6444297 | Click to see | 396.30 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids | |||||
| Gallic Acid | 370 | Click to see | 170.12 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters | |||||
| Methyl Gallate | 7428 | Click to see | 184.15 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives | |||||
| Vanillate | 54675858 | Click to see | 167.14 | unknown | via CMAUP database |
| Vanillic Acid | 8468 | Click to see COC1=C(C=CC(=C1)C(=O)O)O | 168.15 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids | |||||
| Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)- | 368156 | Click to see CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | 346.50 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Ginkgolic acid | 5281858 | Click to see | 346.50 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Benzenoids / Benzene and substituted derivatives / Benzyl alcohols | |||||
| 3,4,5-Trimethoxybenzyl alcohol | 77449 | Click to see | 198.22 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Benzenoids / Naphthalenes / Naphthoquinones | |||||
| Javanicin | 10149 | Click to see CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C | 290.27 | unknown | via CMAUP database |
| > Benzenoids / Phenols / Benzenediols / Resorcinols | |||||
| Orcinol | 10436 | Click to see | 124.14 | unknown |
https://doi.org/10.1002/JCCS.200800033 https://doi.org/10.1002/JCCS.200500117 |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| methyl (2S)-3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoate | 100955863 | Click to see COC1=C(C=CC(=C1)C(CO)C(=O)OC)O | 226.23 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Methyl 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoate | 162867206 | Click to see COC1=C(C=CC(=C1)C(CO)C(=O)OC)O | 226.23 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Syringaldehyde | 8655 | Click to see COC1=CC(=CC(=C1O)OC)C=O | 182.17 | unknown |
https://doi.org/10.1002/JCCS.200500117 https://doi.org/10.1248/CPB.55.804 |
| Vanillin | 1183 | Click to see COC1=C(C=CC(=C1)C=O)O | 152.15 | unknown |
https://doi.org/10.1002/JCCS.200500117 https://doi.org/10.1055/S-2002-33798 |
| > Lignans, neolignans and related compounds | |||||
| (1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[2-[(E)-3-hydroxyprop-1-enyl]-3-methoxyphenoxy]propane-1,3-diol | 162849837 | Click to see | 376.40 | unknown | https://doi.org/10.1016/0031-9422(96)00258-0 |
| 1-(4-Hydroxy-3-methoxyphenyl)-2-[2-(3-hydroxyprop-1-enyl)-3-methoxyphenoxy]propane-1,3-diol | 85140713 | Click to see COC1=C(C(=CC=C1)OC(CO)C(C2=CC(=C(C=C2)O)OC)O)C=CCO | 376.40 | unknown | https://doi.org/10.1016/0031-9422(96)00258-0 |
| > Lignans, neolignans and related compounds / Aryltetralin lignans | |||||
| [7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | 73311256 | Click to see | 582.60 | unknown | https://doi.org/10.1248/CPB.55.804 |
| > Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans | |||||
| Isolariciresinol (6CI); (+)-Cyclolariciresinol; (+)-Isolariciresinol; Isolariciresinol, (+)-;-Conidendryl alcohol | 4177125 | Click to see | 360.40 | unknown | https://doi.org/10.1248/CPB.55.804 |
| Isolariciresinol, (+)- | 160521 | 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/10.1248/CPB.55.804 |
| > Lignans, neolignans and related compounds / Coumarinolignans | |||||
| (2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one | 24970879 | Click to see | 416.40 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| 3-(4-Hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one | 100151 | Click to see COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O | 386.40 | unknown |
https://doi.org/10.1002/HLCA.201100165 https://doi.org/10.1271/BBB.80784 |
| 8'-epi-cleomiscosin A | 11200016 | Click to see COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O | 386.40 | unknown | via CMAUP database |
| 9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(+-)- | 11982428 | Click to see COC1=C(C=CC(=C1)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O | 386.40 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| Aquillochin | 14282064 | Click to see | 416.40 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| CID 14282057 | 14282057 | Click to see COC1=C(C=CC(=C1)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O | 386.40 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| CID 335652 | 335652 | Click to see | 386.40 | unknown |
https://doi.org/10.1021/NP50033A030 https://doi.org/10.1016/0031-9422(96)00258-0 |
| Cleomiscosin A | 442510 | Click to see | 386.40 | unknown |
https://doi.org/10.1002/HLCA.201100165 https://doi.org/10.1021/NP50033A030 https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1271/BBB.80784 |
| > Lignans, neolignans and related compounds / Flavonolignans | |||||
| (-)-Hydnocarpin | 44582381 | Click to see | 464.40 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| (Rac)-Hydnocarpin | 5489114 | Click to see | 464.40 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| > Lignans, neolignans and related compounds / Furanoid lignans | |||||
| (-)-Pinoresinol | 12309636 | Click to see | 358.40 | unknown |
https://doi.org/10.1021/JF0709808 https://doi.org/10.1002/JCCS.200500117 |
| (-)-Syringaresinol | 11604108 | Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC | 418.40 | unknown | https://doi.org/10.1021/JF0709808 |
| (+-)-Pinoresinol | 234817 | Click to see | 358.40 | unknown |
https://doi.org/10.1002/JCCS.200500117 https://doi.org/10.1021/JF0709808 https://doi.org/10.1002/HLCA.201100165 |
| Epipinoresinol | 637584 | Click to see | 358.40 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| Medioresinol, (+)- | 181681 | Click to see | 388.40 | unknown | via CMAUP database |
| Pinoresinol | 73399 | Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O | 358.40 | unknown | via CMAUP database |
| Syringaresinol | 100067 | Click to see | 418.40 | unknown | https://doi.org/10.1021/JF0709808 |
| > Lignans, neolignans and related compounds / Lignan glycosides | |||||
| (-)-Pinoresinol 4-O-Beta-D-Glucopyranoside | 11168362 | Click to see | 520.50 | unknown | https://doi.org/10.1021/JF0709808 |
| [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 102380095 | Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O | 874.90 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 102380096 | Click to see | 934.90 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [(2R,3S,4R,5R,6S)-6-[4-[[(3R,4R,5S)-5-[4-[(1S,2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 163186850 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)OC)CC5COC(C5CO)C6=CC(=C(C(=C6)OC)OC(C7=CC(=C(C(=C7)OC)O)OC)C(CO)O)OC | 1161.20 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 71465381 | Click to see | 698.70 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [3,4,5-Trihydroxy-6-[[8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73311305 | Click to see COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)O)OC)CO)CO | 758.80 | unknown | https://doi.org/10.1248/CPB.55.804 |
| [3,4,5-Trihydroxy-6-[4-[[5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 78076652 | Click to see | 698.70 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [3,4,5-Trihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73409271 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C4C5COC(C5CO4)C6=CC(=C(C=C6)O)OC)OC)O)O)O)O | 696.70 | unknown | https://doi.org/10.1021/JF0709808 |
| [3,5-Dihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73409270 | Click to see | 872.90 | unknown | https://doi.org/10.1021/JF0709808 |
| [4,5-Dihydroxy-6-[[8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73311306 | Click to see | 934.90 | unknown | https://doi.org/10.1248/CPB.55.804 |
| [4,5-Dihydroxy-6-[4-[[5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 162992800 | Click to see | 874.90 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [4,5-Dihydroxy-6-[4-[[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 162893961 | Click to see | 934.90 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| [4,5-Dihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73409220 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C4C5COC(C5CO4)C6=CC(=C(C=C6)O)OC)OC)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O | 872.90 | unknown | https://doi.org/10.1021/JF0709808 |
| [4,5-Dihydroxy-6-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 73409272 | Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC | 932.90 | unknown | https://doi.org/10.1021/JF0709808 |
| [6-[4-[[5-[4-[2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenoxy]-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 163014348 | Click to see | 1161.20 | unknown | https://doi.org/10.1002/HLCA.200790108 |
| Pinoresinol-4'-O-(6'-O-(E)-Feruloyl)-Beta-D-Glucopyranoside | 17755816 | Click to see | 696.70 | unknown | https://doi.org/10.1021/JF0709808 |
| Pinoresinol-4'-O-[3',6'-O-(E)-diferuloyl]-beta-D-glucopyranoside | 17755815 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C4C5COC(C5CO4)C6=CC(=C(C=C6)O)OC)OC)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O | 872.90 | unknown | https://doi.org/10.1021/JF0709808 |
| Pinoresinol-4'-O-[4',6'-O-(E)-Diferuloyl]-Beta-D-Glucopyranoside | 17755702 | Click to see | 872.90 | unknown | https://doi.org/10.1021/JF0709808 |
| Rhusemialin C | 16724501 | Click to see | 934.90 | unknown | https://doi.org/10.1248/CPB.55.804 |
| Symplocosin | 5351523 | Click to see | 520.50 | unknown | https://doi.org/10.1021/JF0709808 |
| Syringaresinol-4'-O-(4',6'-O-(E)-Diferuloyl)-Beta-D-Glucopyranoside | 17755817 | Click to see | 932.90 | unknown | https://doi.org/10.1021/JF0709808 |
| > Lignans, neolignans and related compounds / Lignan lactones | |||||
| (3R,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one | 11014163 | Click to see | 372.40 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| 8-Hydroxyhexadecanoic acid | 15569773 | Click to see CCCCCCCCC(CCCCCCC(=O)O)O | 272.42 | unknown | https://doi.org/10.1055/S-2002-33798 |
| Elaidic Acid | 637517 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 282.50 | unknown | via CMAUP database |
| Hexadecanoic acid, 8-hydroxy-, (S)- | 5312819 | Click to see | 272.42 | unknown | https://doi.org/10.1055/S-2002-33798 |
| 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 |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | via CMAUP database |
| Stearic Acid | 5281 | Click to see | 284.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| (3E,9E)-undeca-3,9-dienoic acid | 52914864 | Click to see CC=CCCCCC=CCC(=O)O | 182.26 | unknown | via CMAUP database |
| Azelaic Acid | 2266 | Click to see C(CCCC(=O)O)CCCC(=O)O | 188.22 | unknown | https://doi.org/10.1055/S-2002-33798 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids | |||||
| Crotonic Acid | 637090 | Click to see | 86.09 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Annonaceous acetogenins | |||||
| Javoricin | 10326193 | Click to see CCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCCCC(CC2=CC(OC2=O)C)O)O)O)O | 596.90 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Linoleic Acid | 5280450 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown | via CMAUP database |
| Npc223695 | 5867807 | Click to see | 279.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Glycerolipids / Diradylglycerols / Diacylglycerols / 1,3-diacylglycerols | |||||
| 1,3-Diolein | 5497165 | Click to see | 621.00 | unknown | https://doi.org/10.1055/S-2002-33798 |
| Glyceryl dioleate | 33120 | Click to see | 621.00 | unknown | https://doi.org/10.1055/S-2002-33798 |
| > Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols | |||||
| Tristearin | 11146 | Click to see | 891.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids | |||||
| (4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid | 15559628 | Click to see CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)C | 316.40 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1021/NP50082A011 |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids | |||||
| [(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate | 5318035 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C | 586.80 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
| Thymol | 6989 | Click to see | 150.22 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (1S,3S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol | 12304610 | Click to see | 154.25 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| 4-Methyl-1-propan-2-ylbicyclo[3.1.0]hexan-2-ol | 23616937 | Click to see | 154.25 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Camphene | 6616 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Camphor | 2537 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Npc262978 | 6429076 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Thujone | 261491 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| Carvone, (+-)- | 7439 | Click to see | 150.22 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Carvone, (+)- | 16724 | Click to see CC1=CCC(CC1=O)C(=C)C | 150.22 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| (-)-Isocaryophyllene | 5281522 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| (1R,4aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene | 5315589 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| (1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol | 5315592 | Click to see | 222.37 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| 4-(3,4-Dihydroxybut-1-enyl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one | 124222269 | Click to see | 240.29 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| 4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one | 440244 | Click to see | 224.30 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| alpha-Cadinene, (+)- | 12306048 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| alpha-Cadinol | 10398656 | Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C | 222.37 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Corchoionol C | 137705650 | Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C | 224.30 | unknown | https://doi.org/10.1016/0031-9422(96)00258-0 |
| Cucumegastigmane I | 16105430 | Click to see | 240.29 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| Dendronpholide G | 44568404 | Click to see | 424.50 | unknown | via CMAUP database |
| epi-alpha-Cadinol | 160799 | Click to see | 222.37 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Humulene | 5281520 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| methyl 2-[(1S,3R,6R,7R,10S,11E,14S)-7-acetyloxy-6,10-dihydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadec-11-en-3-yl]prop-2-enoate | 46193473 | Click to see | 424.50 | unknown | via CMAUP database |
| Vomifoliol, (+)- | 5280462 | Click to see | 224.30 | unknown |
https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1002/HLCA.201100165 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids | |||||
| (1S,2R,5S)-2,6,6,8-tetramethyltricyclo(5.3.1.01,5)undec-8-ene | 442348 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| 1,7-di-epi-alpha-Cedrene | 10878276 | Click to see | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides | |||||
| methyl (4S,5E,6R)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate | 75492723 | Click to see | 524.50 | unknown | https://doi.org/10.1016/0031-9422(88)80438-2 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| (2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol | 154496709 | Click to see | 771.00 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Quassinoids | |||||
| (11beta,12alpha,15beta)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid | 5315509 | Click to see | 564.60 | unknown | https://doi.org/10.1021/NP070236H |
| (1beta,2alpha,11beta,12alpha,15beta)-13,20-Epoxy-1,2,11,12,14,15-hexahydroxypicras-3-en-16-one | 5315510 | Click to see | 412.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6R,15R,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 5315365 | Click to see | 410.40 | unknown |
https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1246/BCSJ.58.2673 |
| (1R,2R,3R,6R,8R,12S,13S,14R,15R,16S,17R)-2,3,10,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 44445358 | Click to see CC1=C(C(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O)O | 442.40 | unknown | via CMAUP database |
| (1R,2R,3R,6R,8S,10R,12R)-2,3,10,11-tetrahydroxy-8,12-dimethyl-8-(3-methyl-5-oxo-2H-furan-2-yl)-5,13-dioxatetracyclo[7.5.0.01,6.02,12]tetradecan-4-one | 5315366 | Click to see CC1=CC(=O)OC1C2(CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C | 396.40 | unknown |
https://doi.org/10.1248/CPB.36.841 https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 5315511 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O)O | 428.40 | unknown | https://doi.org/10.1246/BCSJ.58.2673 |
| (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 101273517 | Click to see | 574.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S)-2,3,11,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 6324852 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O)O | 428.40 | unknown | via CMAUP database |
| (1R,2R,3R,6R,8S,12R,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-13,17-dimethyl-9-methylidene-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-en-4-one | 101600137 | Click to see CC12C(CC3C45C1C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C(=C)C=CC2O | 394.40 | unknown | via CMAUP database |
| (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R,19S)-2,3,12,15,16,17,19-heptahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 162950951 | Click to see | 428.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R,19S)-2,3,12,15,16,19-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 11304852 | Click to see | 426.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16,19-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 10071101 | Click to see | 426.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17S)-2,3,12,15,16-pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 44584514 | Click to see | 426.40 | unknown | https://doi.org/10.1021/NP070236H |
| (1R,2R,3R,6R,8S,9R,10R,11S,12R)-2,3,10,11-tetrahydroxy-8,12-dimethyl-8-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-5,13-dioxatetracyclo[7.5.0.01,6.02,12]tetradecan-4-one | 21769824 | Click to see | 396.40 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1248/CPB.36.841 https://doi.org/10.1016/J.TET.2003.10.048 |
| (1R,2R,3R,6S,7R,8S,13S,14R,15R,16S)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 6324853 | Click to see | 394.40 | unknown | via CMAUP database |
| (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid | 10391474 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)O)O)O)C)O | 506.50 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 11765029 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 670.70 | unknown | via CMAUP database |
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 10556620 | Click to see | 696.70 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 3000803 | Click to see | 670.70 | unknown | https://doi.org/10.1021/NP030484N |
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 21606955 | Click to see | 696.70 | unknown | via CMAUP database |
| (1R,2S,3R,6S,7R,8R,13S,14S,15R,16R,17R)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 162958832 | Click to see | 394.40 | unknown | https://doi.org/10.1007/BF02144855 |
| (1R,2S,3R,6S,7R,8S,13S,14R,15R,16S,17S)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 102059835 | Click to see | 394.40 | unknown | via CMAUP database |
| (1R,2S,3S,7S,9R,12R,13R,14R,15S,16R,17S)-3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione | 162851936 | Click to see | 412.40 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1055/S-2002-33798 |
| (1S,2R,3R,6R,8R,11S,12R,13R,14S,15S,16S,17S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 158288312 | Click to see | 574.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| (1S,2R,3R,6R,8R,11S,12R,13R,14S,15S,16S,17S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 163193486 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 574.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| (2R,6R,8S,11S)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 10341594 | Click to see | 412.40 | unknown | via CMAUP database |
| (6R,8S,13S,14R,16S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 10454212 | Click to see | 410.40 | unknown | via CMAUP database |
| [(1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-17-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (E)-3,4-dimethylpent-2-enoate | 163010439 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)OC(=O)C)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 710.70 | unknown | https://doi.org/10.1248/CPB.34.4447 |
| [17-Acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] 3,4-dimethylpent-2-enoate | 163010438 | Click to see | 710.70 | unknown | https://doi.org/10.1248/CPB.34.4447 |
| 10,15,16-Trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid | 73800371 | Click to see | 506.50 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| 10,15,16-Trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid | 74080986 | Click to see | 508.50 | unknown | https://doi.org/10.1021/NP070236H |
| 15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester | 16727447 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O | 548.60 | unknown | via CMAUP database |
| 2,3,10,11-tetrahydroxy-8,12-dimethyl-8-(3-methyl-5-oxo-2H-furan-2-yl)-5,13-dioxatetracyclo[7.5.0.01,6.02,12]tetradecan-4-one | 73834191 | Click to see | 396.40 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1248/CPB.36.841 https://doi.org/10.1016/J.TET.2003.10.048 |
| 2,3,11,12,15,16-Hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 12302093 | Click to see | 428.40 | unknown | https://doi.org/10.1246/BCSJ.58.2673 |
| 2,3,12,15,16-Pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 14379938 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O | 426.40 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1016/0031-9422(95)00039-A https://doi.org/10.1246/BCSJ.58.2673 |
| 2,3,12,15,16-Pentahydroxy-9,13,17-trimethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one | 162953791 | Click to see | 574.60 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| 2,3,12,15,16,17,19-Heptahydroxy-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 162950950 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5O)O)O)O)C)O | 428.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| 2,3,12,15,16,19-Hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 72792010 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5O)C)O)O)C)O | 426.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| 2,3,7,12,15,16-Hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 73082689 | Click to see | 442.40 | unknown |
https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1246/BCSJ.58.2673 |
| 3-(4-Acetyloxy-3,4-dimethylpent-2-enoyl)oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid | 74080987 | Click to see | 592.60 | unknown | https://doi.org/10.1021/NP070236H |
| 3,12,13,14,15,16-Hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione | 162851935 | Click to see CC1=CC(=O)C(C2(C1CC3C4(C2C(C(C(C4(C(C(=O)O3)O)O)(C)O)O)O)C)C)O | 412.40 | unknown |
https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1021/NP030484N |
| 3,7,15,16-Tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione | 78407148 | Click to see | 394.40 | unknown | https://doi.org/10.1007/BF02144855 |
| Bruceantarin | 3084828 | Click to see | 542.50 | unknown | https://doi.org/10.1055/S-2007-971706 |
| Bruceantin | 5281304 | Click to see | 548.60 | unknown |
https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1055/S-0028-1083884 https://doi.org/10.1021/NP50049A007 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Bruceantinol A | 23656477 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)O)O)O)C)O | 592.60 | unknown | https://doi.org/10.1021/NP070236H |
| Brucein B | 280689 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O | 480.50 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1007/BF02142154 https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1248/CPB.42.1416 |
| Brucein C | 54601803 | Click to see | 564.60 | unknown |
https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 |
| Brucein D | 441788 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O | 410.40 | unknown |
https://doi.org/10.1002/PS.1465 https://doi.org/10.1021/NP070236H https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1002/PTR.2344 https://doi.org/10.1021/NP200712Y |
| Brucein E | 122785 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)O | 412.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1248/CPB.32.4702 |
| Bruceine A | 160006 | Click to see | 522.50 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1007/BF02142154 https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Bruceine D | 122784 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O | 410.40 | unknown | https://doi.org/10.1021/NP070236H |
| Bruceine H | 10320238 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O | 426.40 | unknown |
https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1021/NP070236H https://doi.org/10.1016/0031-9422(95)00039-A https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2673 |
| Bruceine J | 23656476 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)O)O)O)C)O | 508.50 | unknown | https://doi.org/10.1021/NP070236H |
| bruceineE | 14379939 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)O | 412.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 |
| Bruceolide | 99531 | Click to see | 438.40 | unknown | https://doi.org/10.1016/S1383-5769(99)00023-9 |
| Bruceoside B | 72953 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 682.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/YAKUSHI1947.110.11_834 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| Bruceoside C | 44576042 | Click to see | 682.70 | unknown | https://doi.org/10.1021/NP50082A011 |
| Bruceoside-B | 73351376 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 682.70 | unknown | via CMAUP database |
| Bruceoside-F | 6451123 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 754.70 | unknown |
https://doi.org/10.1021/NP50121A007 https://doi.org/10.1246/BCSJ.72.751 |
| bruceosideB | 3000796 | Click to see | 682.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 |
| Brusatol | 73432 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O | 520.50 | unknown |
https://doi.org/10.1021/NP50049A007 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1246/BCSJ.72.751 https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP030484N https://doi.org/10.1021/NP50033A030 |
| butyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 10556847 | Click to see | 724.70 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| CID 11765370 | 11765370 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 710.70 | unknown | https://doi.org/10.1021/NP030484N |
| CID 134715120 | 134715120 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 642.60 | unknown |
https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 |
| CID 21606956 | 21606956 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 710.70 | unknown | https://doi.org/10.1021/NP030484N |
| CID 21636148 | 21636148 | Click to see | 642.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2673 |
| CID 432922 | 432922 | Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O | 410.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1002/PS.1465 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1021/NP030484N https://doi.org/10.1002/PTR.2344 https://doi.org/10.1021/NP070236H https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1021/NP200712Y |
| CID 71463728 | 71463728 | Click to see | 410.40 | unknown | via CMAUP database |
| Dehydrobruceantinol | 54604632 | Click to see | 604.60 | unknown | https://doi.org/10.1246/BCSJ.58.2680 |
| Dehydrobruceine B | 101967133 | Click to see | 478.40 | unknown | https://doi.org/10.1055/S-2007-971706 |
| Dehydrobrusatol | 59087297 | Click to see | 518.50 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1246/BCSJ.58.2680 |
| dimethyl (1R,2R,3S,6R,8R,13S,14R,15R,16S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-3,17-dicarboxylate | 163026073 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)C(=O)OC)(OC5)C(=O)OC)O)O)C)O | 480.50 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| Dimethyl 10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-3,17-dicarboxylate | 163026072 | Click to see | 480.50 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| ethyl (1R,2R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 5315515 | Click to see | 436.50 | unknown | via CMAUP database |
| Javanicolide C | 11214625 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(CC(C1O)O)C)O)O)C(=O)OC | 524.60 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicolide D | 11455840 | Click to see | 566.60 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicolide E | 70686049 | Click to see | 522.50 | unknown | via CMAUP database |
| Javanicoside B | 11169907 | Click to see | 684.70 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicoside C | 11169890 | Click to see CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 680.60 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicoside D | 11227971 | Click to see | 740.70 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicoside E | 11274270 | Click to see | 770.80 | unknown | via CMAUP database |
| Javanicoside F | 11445415 | Click to see | 696.70 | unknown | https://doi.org/10.1021/NP030484N |
| Javanicoside H | 12086836 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(CO6)O)O)O)C)O)O)C(=O)OC | 738.70 | unknown | https://doi.org/10.3987/COM-03-9966 |
| Methyl (11beta,12alpha,15beta)-15-(((2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate | 5281305 | Click to see | 606.60 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1002/HLCA.201100165 |
| Methyl (11beta,12alpha,15beta)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate | 161496 | Click to see | 480.50 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1007/BF02142154 https://doi.org/10.1007/S12272-011-0809-5 |
| methyl (1R,2R,3S,6S,8R,11R,12R,13R,14R,15R,16S,17S)-12,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-11-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162913844 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 728.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2R,6R,7R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyl)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162927423 | Click to see | 666.70 | unknown | https://doi.org/10.1021/NP030484N |
| methyl (1R,2R,6R,8S,13S,14S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 137704670 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O | 520.50 | unknown |
https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50033A030 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.72.751 https://doi.org/10.1248/CPB.32.4702 |
| Methyl (1R,2R,6S,7R,8R,13R,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 21115217 | Click to see | 682.70 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,11S,12S,13S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 6324809 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 644.60 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1248/CPB.32.4702 |
| Methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-11,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate | 21125878 | Click to see | 520.50 | unknown |
https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 6324816 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 726.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1021/NP50082A011 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6324806 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 684.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1021/NP50082A011 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 6324813 | Click to see | 642.60 | unknown |
https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 |
| methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 21115199 | Click to see | 700.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-[(2S)-2-methylbutanoyl]oxy-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 154497709 | Click to see CCC(C)C(=O)OC1C2C34COC2(C(C(C3C5(C(CC4OC1=O)C(=C(C(=O)C5O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O)C(=O)OC | 700.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8R,13R,15R,16S,17R)-3,10,15,16-tetrahydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 16745524 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)O | 438.40 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 44584512 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)O | 564.60 | unknown | https://doi.org/10.1021/NP070236H |
| Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 12302104 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O | 520.50 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 5315507 | Click to see | 522.50 | unknown |
https://doi.org/10.1021/NP070236H https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ https://doi.org/10.1016/J.VETPAR.2010.11.040 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 44584511 | Click to see | 606.60 | unknown | https://doi.org/10.1021/NP070236H |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 10033124 | Click to see | 768.80 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-propanoyloxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 44361173 | Click to see CCC(=O)OC1C2C34COC2(C(C(C3C5(CC(=O)C(=C(C5CC4OC1=O)C)O)C)O)O)C(=O)OC | 494.50 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 21636149 | Click to see | 726.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2673 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 21636147 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 684.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-(3,4-dimethylpent-2-enoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 441786 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O | 548.60 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162851391 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)OC7C(C(C(C(O7)CO)O)O)O | 704.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 11411443 | Click to see | 704.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-10,15,16-trihydroxy-3-[(Z)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 5384083 | Click to see | 564.60 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 329238 | Click to see | 522.50 | unknown |
https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1055/S-0028-1083884 https://doi.org/10.1021/NP50049A007 |
| Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 134715121 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 768.80 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 300549 | Click to see | 542.50 | unknown | https://doi.org/10.1055/S-2007-971706 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 9987097 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 684.70 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 9986672 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 644.60 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162913843 | Click to see | 728.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 11479645 | Click to see | 728.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 154497710 | Click to see | 684.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 101659160 | Click to see | 684.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 101659162 | Click to see | 686.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-11,12,15,16-tetrahydroxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162918619 | Click to see | 482.50 | unknown | https://doi.org/10.1021/NP030484N |
| methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 101659159 | Click to see | 644.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 154732058 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 726.70 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 54607490 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 682.70 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 11490891 | Click to see | 682.70 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 10459979 | Click to see | 542.50 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 134715117 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 726.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,9R,13S,14S,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,12-dioxo-11-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 163027913 | Click to see | 682.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,9S,10R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate | 101499202 | Click to see | 608.60 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,9S,10S,11R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate | 11250992 | Click to see | 686.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,9S,10S,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 101366764 | Click to see | 684.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 10417305 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)(C)O)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 700.70 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 44584515 | Click to see | 726.70 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 162988343 | Click to see | 682.70 | unknown | https://doi.org/10.1055/S-2002-33798 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 101659163 | Click to see | 700.70 | unknown | https://doi.org/10.1246/BCSJ.58.2673 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 12086835 | Click to see | 652.60 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(3S)-4-acetyloxy-3,4-dimethylpentanoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 162990758 | Click to see | 770.80 | unknown | https://doi.org/10.1021/NP030484N |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 54604526 | Click to see | 710.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.72.751 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3-ethyl-4-methylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 162904166 | Click to see CCC(=CC(=O)OC1C2C34COC2(C(C(C3C5(C=C(C(=O)C(C5CC4OC1=O)C)OC6C(C(C(OC6O)CO)O)O)C)O)O)C(=O)OC)C(C)(C)OC(=O)C | 782.80 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3-ethyl-4-methylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 10417797 | Click to see | 782.80 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/S0040-4039(00)84049-6 https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 101659161 | Click to see | 768.80 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate | 101600139 | Click to see | 482.50 | unknown | https://doi.org/10.1055/S-2007-971706 |
| Methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 3000798 | Click to see | 642.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-11-ene-17-carboxylate | 72955 | Click to see | 642.60 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1248/YAKUSHI1947.110.11_834 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17R)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 10417716 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 768.80 | unknown | via CMAUP database |
| methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 11445340 | Click to see | 682.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 101659164 | Click to see | 710.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/S0040-4039(00)84049-6 https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-3-[(E)-4-acetyloxy-3-ethyl-4-methylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 163018994 | Click to see CCC(=CC(=O)OC1C2C34COC2(C(C(C3C5(C(CC4OC1=O)C(C=C(C5=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O)C(=O)OC)C(C)(C)OC(=O)C | 782.80 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8S,9S,13S,15R,16S,17R)-15,16-dihydroxy-3-[(Z)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 10462626 | Click to see | 726.70 | unknown | via CMAUP database |
| methyl (1R,2S,3S,6R,8S,13R,14R,15R,16R,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162870106 | Click to see | 768.80 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,6R,13S,15R,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 6324815 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 768.80 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,3R,13S,16S,17R)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 10073874 | Click to see | 480.50 | unknown | via CMAUP database |
| methyl (1R,3R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 118701103 | Click to see | 480.50 | unknown |
https://doi.org/10.1055/S-2007-971706 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1248/CPB.42.1416 |
| methyl (1S,2R,3R,6R,8R,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 154496277 | Click to see | 682.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (2S,3R,6R,13S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 24884096 | Click to see | 710.70 | unknown | via CMAUP database |
| methyl (2S,6R,8R,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 10439581 | Click to see | 684.70 | unknown | via CMAUP database |
| Methyl 10,11,15,16-tetrahydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate | 72753897 | Click to see | 524.60 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate | 72769588 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(CC(C1O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 686.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 299645 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O | 520.50 | unknown |
https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 |
| Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 3908088 | Click to see | 522.50 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1007/BF02142154 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Methyl 11,12,15,16-tetrahydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 72968419 | Click to see | 566.60 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 11,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate | 72512394 | Click to see | 518.50 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 |
| Methyl 11,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate | 73753490 | Click to see | 520.50 | unknown | https://doi.org/10.1246/BCSJ.58.2680 |
| Methyl 12,15,16-trihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 72800018 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 728.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| Methyl 12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 13672390 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 684.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 85143553 | Click to see | 686.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 15,16-dihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 73817508 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 726.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 13074008 | Click to see | 682.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 72804506 | Click to see CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 682.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 14801769 | Click to see | 684.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 85155955 | Click to see | 684.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyl)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162927422 | Click to see CC1=C(C(=O)CC2(C1C(C3C45C2C(C(C(C4CC(=O)O3)(OC5)C(=O)OC)O)O)C(=O)C=C(C)C)C)OC6C(C(C(C(O6)CO)O)O)O | 666.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 2,7,12,15,16-pentahydroxy-9,13-dimethyl-4,11-dioxo-3-(2,3,4,5,7-pentahydroxy-6-methylheptanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 163192659 | Click to see | 676.60 | unknown | https://doi.org/10.1016/S0040-4039(00)70779-9 |
| Methyl 3-(3,4-dimethylpent-2-enoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 573837 | Click to see | 548.60 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Methyl 3-(3,4-dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 73092082 | Click to see | 710.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-(3,4-dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 72963 | Click to see | 710.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.59.3541 |
| Methyl 3-(4-acetyloxy-3-ethyl-4-methylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 162904165 | Click to see | 782.80 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| Methyl 3-(4-acetyloxy-3-ethyl-4-methylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 163018993 | Click to see | 782.80 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| Methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 4482263 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O | 606.60 | unknown |
https://doi.org/10.1021/NP070236H https://doi.org/10.1002/HLCA.201100165 |
| Methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate | 3954719 | Click to see | 604.60 | unknown | https://doi.org/10.1246/BCSJ.58.2680 |
| Methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate | 6436230 | Click to see CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 710.70 | unknown | https://doi.org/10.1248/CPB.34.4447 |
| Methyl 3-acetyloxy-11,12,15,16-tetrahydroxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 162918618 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)O | 482.50 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 13672388 | Click to see | 644.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 https://doi.org/10.1016/J.TET.2003.10.048 |
| Methyl 3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 73817507 | Click to see | 642.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2673 |
| Methyl 3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate | 72951148 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)OC7C(C(C(C(O7)CO)O)O)O | 704.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| Picras-1-en-21-oic acid, 13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-((3-methyl-1-oxo-2-buten-1-yl)oxy)-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- | 441789 | Click to see | 682.70 | unknown |
https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/YAKUSHI1947.110.11_834 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/S0021-9673(01)95776-0 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| Picras-1-en-21-oic acid, 13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3,16-dioxo-, methyl ester, [11beta,12alpha,15beta(E)]- | 101659158 | Click to see | 726.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| Picras-1-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-di-hydroxy-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- | 460523 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(C(C(C5C2(C=C(C1=O)OC7C(C(C(C(O7)CO)O)O)O)C)O)O)C(=O)OC | 704.70 | unknown | via CMAUP database |
| Picras-3-en-21-oic acid, 13, 20-epoxy-3,11,12-trihydroxy-15-[(4-hydro xy-3, 4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11. beta.,12alpha,15beta(E)]- | 428488 | Click to see | 564.60 | unknown | https://doi.org/10.1021/NP070236H |
| Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)- | 73122 | Click to see | 682.70 | unknown | via CMAUP database |
| Samaderine Z | 44593590 | Click to see | 394.40 | unknown | via CMAUP database |
| Yadanzigan | 76307878 | Click to see CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | 574.60 | unknown | https://doi.org/10.1055/S-2002-33798 |
| Yadanziolide B | 11744055 | Click to see CC1=CC(=O)C(C2(C1C(C3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)O)C)O | 442.40 | unknown |
https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1246/BCSJ.58.2673 |
| Yadanziolide C | 10409280 | Click to see | 410.40 | unknown |
https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1021/NP030484N https://doi.org/10.1248/CPB.32.4698 https://doi.org/10.1246/BCSJ.58.2673 |
| Yadanzioside D | 76318697 | Click to see | 482.50 | unknown | via CMAUP database |
| Yadanzioside G | 73354401 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 768.80 | unknown | via CMAUP database |
| Yadanzioside I | 10484290 | Click to see | 642.60 | unknown | via CMAUP database |
| Yadanzioside K | 14060346 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 768.80 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.59.3541 |
| Yadanzioside K | 74029649 | Click to see | 768.80 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.59.3541 |
| Yadanzioside L | 10032831 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 726.70 | unknown | via CMAUP database |
| Yadanzioside N | 6451089 | Click to see | 710.70 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| Yadanzioside P | 73345262 | Click to see | 710.70 | unknown | https://doi.org/10.1248/CPB.34.4447 |
| Yadanzioside-L | 6436225 | Click to see CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O | 726.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1016/J.TET.2003.10.048 https://doi.org/10.1021/NP50082A011 |
| Yadanzioside-M | 21115200 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(C(C(C5C2(C=C(C1=O)OC7C(C(C(C(O7)CO)O)O)O)C)O)O)C(=O)OC | 704.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.59.3541 |
| YadanziosideA | 101659157 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 684.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives | |||||
| [(3aR,4R,6R,7Z,10E,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate | 49799780 | Click to see | 348.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (2E)-6-[(1R,2S,5R,6S,9R,10R,13R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]-2-methylhepta-2,6-dienoic acid | 163000016 | Click to see | 470.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| (2E)-6-[(1R,2S,5R,6S,9R,10R,13R)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]-2-methylhepta-2,6-dienoic acid | 163194933 | Click to see | 470.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| (2E)-6-[(1S,2S,5R,6S,9R,10R,13R,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]-2-methylhepta-2,6-dienoic acid | 163000018 | Click to see CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C35CCC(C4(C)C)(OC5)O)C)C)C(=O)O | 470.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| (2S)-2-[1-[(1S,2S,5R,6R,9R,10R,13S,15S)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one | 162989859 | Click to see CC1=CCC(OC1=O)C(=C)C2CCC3(C2CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C | 468.70 | unknown | https://doi.org/10.1039/C39800000909 |
| (4aS,6aR,6aR,6bR,8R,8aR,12aR,14aS)-8-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid | 162961980 | Click to see CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C)C(=O)O)C | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| (5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 21607678 | Click to see CC(=C)C(CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)O | 458.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| (5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 101109524 | Click to see | 458.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| (5R,8R,9R,10R,13R,14R,17S)-17-[(E,2R)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 163005477 | Click to see CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)OO)O)C)C)C | 474.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| [17-[2-Acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-1-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 2-methylbut-2-enoate | 75051305 | Click to see CC=C(C)C(=O)OC1CC2(C(CCC2(C3C1C4(C(CC(=O)C(C4=CC3)(C)C)O)C)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C | 626.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| [3-Acetyloxy-14-[2-(2,6-diacetyloxy-11,14-dihydroxy-5,5,9-trimethyl-3,15-dioxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate | 162972545 | Click to see CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)OC(=O)C)O)C(=O)C4CCC5(C6CC(C7C8(CCC(C(C8C(=O)C(C7(C6)C5=O)OC(=O)C)(C)C)OC(=O)C)C)O)O)O)C | 885.00 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| 10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid | 5319898 | Click to see CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O)C | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 17-(2-Hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 4220788 | Click to see CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C | 442.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 17-(6-Hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 85302141 | Click to see CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)OO)O)C)C)C | 474.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| 19-Hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid | 14487551 | Click to see | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 2-[1-(15-Hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl)ethenyl]-5-methyl-2,3-dihydropyran-6-one | 76386879 | Click to see | 468.70 | unknown | https://doi.org/10.1039/C39800000909 |
| 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid | 14345396 | Click to see | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 20-Hydroxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid | 15560078 | Click to see | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 20,24-Dihydroxydammar-25-en-3-one | 73800741 | Click to see | 458.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| 3-Hydroxyolean-12-en-28-oic acid | 619166 | Click to see | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 3-Oxo-olean-12-en-28-oic acid | 12313702 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 3-Oxolup-20(29)-en-28-oic acid | 289985 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 3-Oxotirucalla-7,24-Dien-21-Oic Acid | 158100 | Click to see CC(=CCCC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 6-(15-Hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl)-2-methylhepta-2,6-dienoic acid | 163000014 | Click to see CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C35CCC(C4(C)C)(OC5)O)C)C)C(=O)O | 470.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| 6-Methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid | 73744548 | Click to see CC(=CCCC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 8-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid | 73313072 | Click to see | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Benulin | 173668 | Click to see | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Betulin | 72326 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO | 442.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Betulinic Acid | 64971 | Click to see | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Betulonic acid | 122844 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Bruceajavaninone A | 44582342 | Click to see CC=C(C)C(=O)OC1CC2(C(CCC2(C3C1C4(C(CC(=O)C(C4=CC3)(C)C)O)C)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C | 626.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| CID 3003153 | 3003153 | Click to see | 470.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Dipterocarpol | 441676 | Click to see | 442.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Isofouquierone peroxide | 101109523 | Click to see CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)OO)O)C)C)C | 474.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| Lup-20(29)-en-28-oic acid, 3beta-hydroxy- | 2371 | Click to see | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Lup-20(29)-ene-3beta,28-diol | 221023 | Click to see | 442.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Macedonic acid | 193076 | Click to see | 470.70 | unknown | via CMAUP database |
| Morolic Acid | 489944 | Click to see | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Moronic Acid | 489941 | Click to see | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Oleanolic Acid | 10494 | Click to see | 456.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Oleanonic Acid | 12313704 | Click to see | 454.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Semialactone | 91895428 | Click to see CC1=CCC(OC1=O)C(=C)C2CCC3(C2CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C | 468.70 | unknown | https://doi.org/10.1248/CPB.49.1024 |
| Yamogenin | 441900 | Click to see | 414.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids | |||||
| [(5R,7R,8R,9R,10R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 10414931 | Click to see CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5CC(OC5OC)C6C(O6)(C)C)C)C)(C)C | 540.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 71544782 | Click to see | 574.70 | unknown | via CMAUP database |
| [(5R,7R,9R,10R,13S,17R)-17-[(2R)-2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 190956 | Click to see | 568.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 190957 | Click to see CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5CC(OC5OC)C6C(O6)(C)C)C)C)(C)C | 540.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [17-[2-Acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-7-yl] acetate | 162874718 | Click to see | 570.80 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [17-[2-Acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 78173567 | Click to see CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C)C)(C)C | 568.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [17-[2-Acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] hexanoate | 75051301 | Click to see | 640.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| [17-[5-(3,3-Dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate | 53463467 | Click to see | 540.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| [7-Acetyloxy-17-[2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-methylbut-2-enoate | 75051303 | Click to see CC=C(C)C(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)C(C4CC3OC(=O)C)(C)C)C)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C | 666.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| [7-Acetyloxy-17-[2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] hexanoate | 75051302 | Click to see | 682.90 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| [7-Acetyloxy-17-[5-(3,3-dimethyloxiran-2-yl)-2-methoxyoxolan-3-yl]-1-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 2-methylbut-2-enoate | 75051304 | Click to see CC=C(C)C(=O)OC1CC2(C(CC=C2C3(C1C4(C(CC3OC(=O)C)C(C(=O)CC4O)(C)C)C)C)C5CC(OC5OC)C6C(O6)(C)C)C | 656.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| 1,2-Dihydrobruceajavanin A | 10076750 | Click to see CC(=O)OC1CC2C(C(=O)CCC2(C3C1(C4=CCC(C4(CC3)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C)C)(C)C | 570.80 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| Bruceajavanin A | 10030889 | Click to see | 568.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| Bruceajavanin B | 121513841 | Click to see | 540.70 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| Bruceajavanone A | 44582338 | Click to see | 640.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Bruceajavanone A 7-Acetate | 44582339 | Click to see CCCCCC(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)C(C4CC3OC(=O)C)(C)C)C)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C | 682.90 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Bruceajavanone B | 44582340 | Click to see | 666.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| Bruceajavanone C | 44582341 | Click to see | 656.80 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683946/ |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxosteroids / 20-oxosteroids | |||||
| 1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone | 13994974 | Click to see | 360.60 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 1-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | 11078915 | Click to see | 360.60 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides | |||||
| (2S,3R,4S,5S)-2-[[(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol | 101916318 | Click to see | 450.60 | unknown | via CMAUP database |
| (2S,3R,4S,5S)-2-[[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol | 163085507 | Click to see CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C)C)O | 450.60 | unknown | https://doi.org/10.1016/0031-9422(94)00737-E |
| 2-[[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol | 163085506 | Click to see CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C)C)O | 450.60 | unknown | https://doi.org/10.1016/0031-9422(94)00737-E |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (-)-beta-Sitosterol | 222284 | Click to see | 414.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 52940117 | Click to see | 576.80 | unknown | via CMAUP database |
| 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 86821 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 5alpha-Stigmastane-3,6-dione | 13992092 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)C(C)C | 428.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 7-Hydroxystigmasterol | 101704480 | Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C | 428.70 | unknown | via CMAUP database |
| b-Sitostenone | 579897 | Click to see | 412.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| CID 91884997 | 91884997 | Click to see | 428.70 | unknown | via CMAUP database |
| Schottenol | 441837 | Click to see | 414.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Sitogluside | 5742590 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1016/0031-9422(94)00737-E |
| Stigmast-4-ee-3,6-dione | 14308881 | Click to see | 426.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Stigmast-4-en-3-one | 5484202 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C | 412.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Stigmast-4-ene-3,6-dione | 5490007 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C)C(C)C | 426.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Stigmast-7-en-3-ol,(3.beta | 521367 | Click to see | 414.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Stigmastane-3,6-dione | 543599 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)C(C)C | 428.70 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| Stigmasterol Glucoside | 6602508 | Click to see | 574.80 | unknown | https://doi.org/10.1016/0031-9422(94)00737-E |
| Stigmasteryl glucoside | 70699355 | Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 574.80 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives | |||||
| 2-[(1R,2S,3R,6R,8S,9S,10R,11R,12S,13S)-11,12-dihydroxy-13-methoxycarbonyl-8-[(2S)-1-methoxy-1-oxopropan-2-yl]-9-methyl-3-(3-methylbut-2-enoyloxy)-4-oxo-5,14-dioxatetracyclo[8.5.0.01,6.02,13]pentadecan-9-yl]acetic acid | 70692363 | Click to see | 568.60 | unknown | via CMAUP database |
| Javanic Acid A | 70694422 | Click to see CC(C1CC2C34COC(C3C(C(=O)O2)OC(=O)C=C(C)C)(C(C(C4C1(C)CC(=O)O)O)O)C(=O)OC)C(=O)O | 554.50 | unknown | via CMAUP database |
| methyl (1R,4S,5S,6S,10R,11R,13R,16R,17S,18R)-11-acetyl-5,16-diacetyloxy-10-methyl-8,15-dioxo-3,7,14-trioxapentacyclo[8.7.1.01,13.04,17.06,18]octadecane-4-carboxylate | 162999175 | Click to see CC(=O)C1CC2C34COC(C3C(C(=O)O2)OC(=O)C)(C(C5C4C1(CC(=O)O5)C)OC(=O)C)C(=O)OC | 508.50 | unknown | https://doi.org/10.1016/0031-9422(90)85228-8 |
| Methyl 11-acetyl-5,16-diacetyloxy-10-methyl-8,15-dioxo-3,7,14-trioxapentacyclo[8.7.1.01,13.04,17.06,18]octadecane-4-carboxylate | 14705609 | Click to see | 508.50 | unknown | https://doi.org/10.1016/0031-9422(90)85228-8 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives | |||||
| Bruceanic Acid E | 70681802 | Click to see | 524.50 | unknown | via CMAUP database |
| Bruceanic Acid E Methyl Ester | 70688171 | Click to see | 538.50 | unknown | via CMAUP database |
| Bruceanic Acid F | 70681803 | Click to see | 510.50 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides | |||||
| [(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 163191025 | Click to see COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O | 698.70 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| [(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 163190973 | Click to see | 698.70 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| [4,5-Dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 162982289 | Click to see COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O | 698.70 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| [4,5-Dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 162899562 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)OC)CO | 698.70 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
| Tagetone, (E)- | 5368938 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Tagetone, (Z)- | 5368956 | Click to see | 152.23 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes | |||||
| 4-Hydroxybenzaldehyde | 126 | Click to see | 122.12 | unknown | https://doi.org/10.1271/BBB.80784 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones | |||||
| 2,6-Dimethoxyquinone | 68262 | Click to see COC1=CC(=O)C=C(C1=O)OC | 168.15 | unknown |
https://doi.org/10.1002/JCCS.200500117 https://doi.org/10.1002/JCCS.200800033 |
| > Organoheterocyclic compounds / Benzodioxoles | |||||
| Apiole | 10659 | Click to see | 222.24 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Dillapiol | 10231 | Click to see COC1=C(C2=C(C=C1CC=C)OCO2)OC | 222.24 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| Myristicin | 4276 | Click to see | 192.21 | unknown | https://doi.org/10.1080/10412905.1994.9698344 |
| > Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans | |||||
| (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carbaldehyde | 44577733 | Click to see CC1CC2=C(C=CC(=C2C(=O)O1)O)C=O | 206.19 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 5-Formyl-8-Hydroxy-3-Methyl-3,4-Dihydroisocoumarin | 44423672 | Click to see | 206.19 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 5-Hydroxymethylmellein | 14807793 | Click to see | 208.21 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| CID 14807792 | 14807792 | Click to see CC1CC2=C(C=CC(=C2C(=O)O1)O)CO | 208.21 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Organoheterocyclic compounds / Furopyrans | |||||
| (1S,2R,3R,4S,6R,7R,10R,11R,12R)-2,6,11,12-tetrahydroxy-4,10-dimethyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one | 10453339 | Click to see | 396.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| (1S,2R,3R,4S,6R,7R,10R,11R,12S)-2,6,11,12-tetrahydroxy-4-methyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one | 101270668 | Click to see | 382.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| 2,6,11,12-tetrahydroxy-4,10-dimethyl-4-(3-methyl-5-oxo-2H-furan-2-yl)-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one | 85147190 | Click to see | 396.40 | unknown | https://doi.org/10.1016/J.TET.2003.10.048 |
| > Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines | |||||
| 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol | 45358120 | Click to see | 624.80 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones | |||||
| [(1R,3S,5S,7E,9R,12R,13R)-9-hydroxy-5,9,13-trimethyl-16-methylidene-15-oxo-4,14-dioxatricyclo[11.3.2.03,5]octadec-7-en-12-yl] acetate | 44521906 | Click to see | 392.50 | unknown | via CMAUP database |
| [(1R,3S,5S,7E,9S,12R,13R)-9-hydroxy-5,9,13-trimethyl-16-methylidene-15-oxo-4,14-dioxatricyclo[11.3.2.03,5]octadec-7-en-12-yl] acetate | 44518136 | Click to see | 392.50 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Delta valerolactones | |||||
| (1S,2S,6S,7S,9R,11R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one | 163195645 | Click to see | 362.40 | unknown | https://doi.org/10.1248/CPB.42.1416 |
| > Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones / Naphthopyranone glycosides | |||||
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 10484578 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 668.60 | unknown |
https://doi.org/10.1021/NP50121A007 https://doi.org/10.1246/BCSJ.72.751 |
| (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 6712354 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 670.70 | unknown |
https://doi.org/10.1021/NP50121A007 https://doi.org/10.1246/BCSJ.72.751 |
| 15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 3290590 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 670.70 | unknown | https://doi.org/10.1021/NP030484N |
| 3-(3,4-Dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid | 73800372 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O | 696.70 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| Butyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 73800373 | Click to see CCCCOC(=O)C12C3C(C(=O)OC4C3(CO1)C(C(C2O)O)C5(C=C(C(=O)C(C5C4)C)OC6C(C(C(C(O6)CO)O)O)O)C)OC(=O)C=C(C)C | 724.70 | unknown | https://doi.org/10.1246/BCSJ.72.751 |
| CID 13657696 | 13657696 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 642.60 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6324814 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)(C)O)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 700.70 | unknown | https://doi.org/10.1246/BCSJ.58.2673 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6324808 | Click to see | 726.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,13S,15R,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6324812 | Click to see | 768.80 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 134715119 | Click to see | 768.80 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 134715118 | Click to see | 642.60 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1021/NP50049A007 https://doi.org/10.1248/YAKUSHI1947.110.11_834 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S)-3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 134715122 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(C(C(C5C2(C=C(C1=O)OC7C(C(C(C(O7)CO)O)O)O)C)O)O)C(=O)OC | 704.70 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 162862959 | Click to see | 726.70 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 |
| methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6436226 | Click to see | 710.70 | unknown |
https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.72.751 |
| methyl (2S,3R,6R,13S,15R,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 6324819 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 768.80 | unknown | https://doi.org/10.1246/BCSJ.59.3541 |
| Methyl 15-(benzoyloxy)-2-(hexopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-13,20-epoxypicras-1-en-21-oate | 72961 | Click to see | 704.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.59.3541 |
| Methyl 15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 74029648 | Click to see | 700.70 | unknown | https://doi.org/10.1246/BCSJ.58.2673 |
| Methyl 15,16-dihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 74029646 | Click to see | 726.70 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 4207692 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 682.70 | unknown |
https://doi.org/10.1055/S-2002-33798 https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1246/BCSJ.58.2673 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate | 85149835 | Click to see CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 680.60 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 13657692 | Click to see | 684.70 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylpent-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 72964416 | Click to see | 696.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-(3-ethyl-4-hydroxy-4-methylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 72759911 | Click to see | 740.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-(3,4-dimethylpent-2-enoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 3942869 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 710.70 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-(4-acetyloxy-3-ethyl-4-methylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 85137708 | Click to see | 782.80 | unknown | https://doi.org/10.1021/NP030484N |
| Methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 163041871 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(CO6)O)O)O)C)O)O)C(=O)OC | 738.70 | unknown | https://doi.org/10.3987/COM-03-9966 |
| Methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 74029647 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 768.80 | unknown |
https://doi.org/10.1021/NP030484N https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1007/S12272-011-0809-5 https://doi.org/10.1248/CPB.32.4702 |
| Methyl 3-(4-acetyloxy-3,4-dimethylpentanoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate | 72779438 | Click to see CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | 770.80 | unknown | https://doi.org/10.1021/NP030484N |
| > Organoheterocyclic compounds / Pyridines and derivatives / Bipyridines and oligopyridines | |||||
| 7-(1-Methyl-2-oxopropyl)streptonigrin | 135437981 | Click to see | 576.60 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.08.029 https://doi.org/10.1016/0031-9422(96)00258-0 https://doi.org/10.1246/BCSJ.58.2680 https://doi.org/10.1248/YAKUSHI1947.110.11_834 https://doi.org/10.1246/BCSJ.58.2673 https://doi.org/10.1021/NP50082A011 https://doi.org/10.1248/CPB.32.4702 |
| > Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones | |||||
| 4-Ethoxycarbonyl-2-quinolone | 160782 | Click to see | 217.22 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Aurone flavonoids | |||||
| 2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one | 5321560 | Click to see | 270.24 | unknown | https://doi.org/10.1002/J.1537-2197.1979.TB06252.X |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| Methyl 4-hydroxy-3-methoxy-cinnamate | 16830 | Click to see | 208.21 | unknown |
https://doi.org/10.1248/CPB.55.804 https://doi.org/10.1002/JCCS.200500117 |
| Methyl ferulate | 5357283 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC)O | 208.21 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| > Phenylpropanoids and polyketides / Depsides and depsidones | |||||
| Digallic Acid | 341 | Click to see | 322.22 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavan-3-ols | |||||
| (2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol | 162952833 | Click to see | 380.40 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| (2S,3R,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol | 162952834 | Click to see CC1=CC(=CC(=C1C2C(C(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)O)O | 380.40 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| 4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol | 162952832 | Click to see CC1=CC(=CC(=C1C2C(C(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)O)O | 380.40 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones | |||||
| (+-)-Eriodictyol | 11095 | Click to see | 288.25 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| (+-)-Naringenin | 932 | Click to see | 272.25 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | 667495 | Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O | 272.25 | unknown | https://doi.org/10.1002/JCCS.200500117 |
| 3',4',7-Trihydroxyflavaonone | 3496769 | Click to see | 272.25 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| Butin | 92775 | Click to see C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O | 272.25 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| Eriodictyol | 440735 | Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O | 288.25 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols | |||||
| (+/-)-Taxifolin | 471 | Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | 304.25 | unknown |
https://doi.org/10.1002/JCCS.200800033 https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| (2R,3R)-3,4',7-Trihydroxyflavanone | 3512634 | Click to see C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O | 272.25 | unknown |
https://doi.org/10.1016/J.FITOTE.2007.07.008 https://doi.org/10.1002/JCCS.200500117 |
| 3,7,3',4'-Tetrahydroxyflavanone | 246330 | Click to see | 288.25 | unknown | https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| Fustin | 5317435 | Click to see | 288.25 | unknown | https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| Garbanzol | 442410 | Click to see C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O | 272.25 | unknown |
https://doi.org/10.1016/J.FITOTE.2007.07.008 https://doi.org/10.1002/JCCS.200500117 |
| Taxifolin | 439533 | Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | 304.25 | unknown |
https://doi.org/10.1002/JCCS.200800033 https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Leucoanthocyanidins | |||||
| (2S,3R,4R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol | 97046467 | Click to see | 274.27 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| (2S,3R,4S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol | 124708056 | Click to see | 274.27 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| 3,4,4',7-Tetrahydroxyflavan | 13886894 | Click to see | 274.27 | unknown | https://doi.org/10.1080/14786419.2010.483528 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
| 7,3',4'-Trihydroxyflavone | 5322065 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O | 270.24 | unknown | https://doi.org/10.1002/JCCS.200800033 |
| Apigenin-7-olate | 25200950 | Click to see | 269.23 | unknown | via CMAUP database |
| Flavone | 10680 | Click to see C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 | 222.24 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| Luteolin | 5280445 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | 286.24 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
| 3,4',7-Trihydroxyflavone | 5281611 | Click to see | 270.24 | unknown | https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| Fisetin | 5281614 | Click to see | 286.24 | unknown | https://doi.org/10.1016/J.FITOTE.2007.07.008 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides | |||||
| Luteolin-4'-o-glucoside | 5319116 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O | 448.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| Luteolin 7-O-glucoside | 5280637 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
| Luteolin-7-O-galactoside | 5488493 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids | |||||
| 4',5-Dihydroxy-3'-methoxyflavon-7-olate(1-) | 25203524 | Click to see | 299.25 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids | |||||
| Thevetiaflavone | 5315202 | Click to see COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)O | 284.26 | unknown | https://doi.org/10.1002/HLCA.201100165 |
| > Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones | |||||
| 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | 2483 | Click to see C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O | 272.25 | unknown | https://doi.org/10.1248/BPB.34.97 |
| Butein | 5281222 | Click to see | 272.25 | unknown | https://doi.org/10.1248/BPB.34.97 |
| > Phenylpropanoids and polyketides / Macrolides and analogues | |||||
| 11-epi-Sinulariolide | 6440916 | Click to see CC1=CCCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C | 334.40 | unknown | via CMAUP database |
| Flexibilide | 5458571 | Click to see | 334.40 | unknown | via CMAUP database |
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