Aesculus hippocastanum
Table of Contents
Details Top
| Internal ID | UUID644007b4cb805113348297 |
| Scientific name | Aesculus hippocastanum |
| Authority | L. |
| First published in | Sp. Pl. : 344 (1753) |
Ethnobotanical Use Top
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Important notice
- Content in this section summarizes historical and cultural records. It is not medical advice.
- Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
- Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
- Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.
Aesculus hippocastanum, commonly known as horse chestnut, has a long history of use in European folk medicine. Among the German population, the bark is traditionally boiled into a decoction and applied as a poultice to reduce swelling and bruising, a practice documented by Schmid in 2018. In Italy, the leaves are macerated in alcohol to produce a tincture that is used externally for rheumatic pain and varicose veins, as reported by Bianchi et al. in 2019. Russian folk healers have also employed a decoction of the bark for treating hemorrhoids and chronic venous insufficiency; Ivanov and colleagues recorded this use in 2015. These preparations all involve infusions or decoctions of the bark or leaves, and they are applied topically rather than ingested.
A simple, safe recipe for a 1:5 ethanol tincture of the bark is as follows: take 10 g of finely chopped, dried bark and place it in a clean glass jar. Add 100 ml of 70 % ethanol (or a 1:1 mixture of water and alcohol if a milder solvent is preferred). Seal the jar and let it steep for 24 hours, shaking gently once a day. After steeping, strain the liquid through a fine mesh or cheesecloth and transfer the clear tincture to a dark glass bottle. Store in a cool, dark place. For external use, apply a few drops to the affected area twice daily. Do not ingest the tincture; it contains saponins that can be toxic if swallowed. Pregnant or nursing women should avoid using horse chestnut preparations, and anyone with a known allergy to tree nuts should exercise caution.
The therapeutic effects of horse chestnut are largely attributed to its saponin content, especially aescin and its glycosides, which have been shown to strengthen capillary walls and reduce inflammation. Flavonoids such as quercetin and kaempferol are also present and may contribute to the anti‑inflammatory activity. These well‑established phytochemicals provide a scientific basis for the traditional uses described above.
Today, horse chestnut extracts are commercially available as topical creams, oral supplements, and prescription preparations for chronic venous insufficiency. Ongoing research continues to evaluate optimal dosing, safety, and efficacy, ensuring that this centuries‑old remedy remains relevant in modern medicine.
General Uses Top
Suggest a correction!Common products:
- Seed saponin extract for surfactants and detergents (non-medicinal).
- Seed-derived starch flour for sizing paper and textiles.
- Wood for carving, turning, and light construction (crates, pallets).
- Bark extract rich in coumarins (aesculetin) as a photographic toning agent.
- Bark and leaf tannins as a brown dye for protein fibers.
- Extracts in select cosmetics and personal-care products as non-medicinal actives.
Industrial and craft applications:
- Powdered seeds used as a laundry additive to assist soil suspension and prevent redeposition; surfactant action attributable to triterpenoid saponins.
- Seed starch acts as a sizing agent in textile finishing and paper manufacturing, improving stiffness and surface smoothness through high amylose content.
- Wood’s low density and softness suit carving, decorative items, and utility carpentry; limited structural use due to lower strength and durability.
Food and beverages (non-medicinal):
- None documented as food or beverage ingredients.
Colorants and tanning:
- Bark and leaf infusions historically yield yellow to brown natural dyes on wool and silk; coloration derives from aesculetin and related coumarins.
- Bark tannins used historically in tanning hides for light brown leathers; composition mainly phlobatannins.
Wood and fiber:
- Wood is light, fine to medium textured, and straight-grained, facilitating carving and turning for craft applications.
- Fibers are not documented for commercial cordage or paper pulp.
Fragrance and cosmetics:
- Seed, bark, and leaf extracts are used in cosmetics and toiletries as conditioning agents, with saponins and aesculetin contributing foaming or antioxidant properties; use is subject to regional cosmetic regulations and concentration limits.
Properties relevant to use:
- Seed saponins: surface-active triterpenoids enabling detergent action and stabilizing emulsions.
- Seed starch: high amylose fraction conferring good thickening and film-forming qualities suitable for sizing.
- Bark coumarins: aesculetin provides UV-sensitizing and chromophoric behavior for photographic toning and natural dye applications.
- Tannins: phlobatannins providing brown coloration and protein-binding capacity for leather tanning.
Standards and regulation:
- Cosmetics must meet regional regulatory requirements (e.g., EU Cosmetic Regulation, US FDA) and safety assessments; aesculin is restricted as a fragrance allergen in the EU due to photosensitization potential.
- Photographic toning agents are subject to archival standards and workplace safety regulations for handling coumarins.
Sustainability and sourcing:
- Wood and seed are by-products of landscape management and ornamental plantings, which can be utilized to reduce waste; however, bark collection must be limited to prevent tree health impacts.
- Seed saponins can be recovered from nuts removed for safety, supporting circular material flows.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Pawia hippocastanum | Kuntze | Revis. Gen. Pl. 1: 146 (1891) |
| Aesculus asplenifolia | Loudon | Encycl. Trees Shrubs : 12 (1842) |
| Aesculus castanea | Gilib. | Fl. Lit. Inch. ii. 197. 1782 |
| Aesculus hippocastanum var. beaumanii | C.K.Schneid. | |
| Aesculus hippocastanum f. beaumanii | (C.K.Schneid.) Dole | Fl. Vermont, ed. 3 185. 1937 |
| Aesculus memmingeri | K.Koch | Dendrologie 1: 506 (1869) |
| Aesculus procera | Salisb. | Prodr. Stirp. Chap. Allerton : 280 (1796) |
| Aesculus septenata | Stokes | Bot. Mat. Med. : 337 (1812) |
| Hippocastanum aesculus | Cav. | Descr. Pl. : 458 (1802) |
| Aesculus hippocastanum var. pendula | Puvill. | Rev. Hort. n.s., 17: 281 1921 |
| Aesculus hippocastanum f. pendula | (Puvill.) Rehder | Bibl. Cult. Trees 430 1949 |
| Aesculus hippocastanum var. flore-pleno | Loudon | Arbor. Frutic. Brit. 1: 463 1838 |
| Aesculus hippocastanum var. aureovariegata | Loudon | Encycl. Trees Shrubs 124 1842 |
| Aesculus hippocastanum var. argenteovariegata | Loudon | Encycl. Trees Shrubs 124 1842 |
| Aesculus hippocastanum var. incisa | Booth ex Loudon | Encycl. Trees Shrubs 124 1842 |
| Aesculus hippocastanum var. variegata | Loudon | Arbor. Frutic. Brit. 1: 463 1838 |
| Hippocastanum vulgare | Gaertn. | Fruct. Sem. Pl. 2: 135 (1790) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | horse-chestnut |
| English | buckeye |
| English | common horse chestnut |
| English | conker tree |
| English | european horse chestnut |
| English | european horsechestnut |
| English | horse chestnut |
| English | horse chestnut tree |
| English | spanish chestnut |
| English | white horse chestnut |
| English | aesculus memmingeri |
| English | aesculus procera |
| English | aesculus septenata |
| English | aesculus asplenifolia |
| Spanish | castaña borde |
| Spanish | castaña de indias |
| Spanish | castaña loca |
| Spanish | castaña pilonga |
| Spanish | castañas pilongas |
| Spanish | castañera borde |
| Spanish | castaño borde |
| Spanish | castaño caballar |
| Spanish | castaño caballuno |
| Spanish | castaño de caballo |
| Spanish | castano de indias |
| Spanish | castaño de indias |
| Spanish | castaño de indias común |
| Spanish | castaño de sombra |
| Spanish | castaño falso |
| Spanish | castaño loco |
| Spanish | pavia hipposcatanum |
| Spanish | aesculus castanea |
| Spanish | aesculus hippocastanum f. beaumanii |
| Spanish | aesculus memmingeri |
| Spanish | aesculus procera |
| Spanish | aesculus septenata |
| Spanish | aesculus asplenifolia |
| Spanish | aesculus hippocastanum f. pendula |
| Spanish | aesculus hippocastanum var. argenteovariegata |
| Spanish | aesculus hippocastanum var. aureovariegata |
| Spanish | aesculus hippocastanum var. beaumanii |
| Spanish | aesculus hippocastanum var. flore-pleno |
| Spanish | aesculus hippocastanum var. incisa |
| Spanish | aesculus hippocastanum var. pendula |
| Spanish | aesculus hippocastanum var. variegata |
| Spanish | hippocastanum aesculus |
| Spanish | hippocastanum vulgare |
| Spanish | pawia hippocastanum |
| Arabic | كستناء الحصان |
| Arabic | بو فروة الحصان |
| Arabic | قسطنه هندي |
| Arabic | بلوط بري |
| Azerbaijani | atşabalıdı |
| Azerbaijani | at şabalıdı |
| Azerbaijani | adi atşabalıdı |
| Belarusian | Конскі каштан звычайны |
| Bulgarian | Обикновен конски кестен |
| Bosnian | divlji kesten |
| Catalan | castanyer d'Índia comú |
| Czech | jírovec maďal |
| Czech | kaštan |
| Czech | kaštan koňský |
| Welsh | castanwydden y meirch |
| Danish | hestekastanje |
| Danish | almindelig hestekastanje |
| German | rosskastanie |
| German | gewöhnliche rosskastanie |
| German | gemeine rosskastanie |
| German | gewöhnliche roßkastanie |
| German | weiße rosskastanie |
| Greek | Αγριοκαστανιά - Ιπποκαστανιά |
| Greek | Αίσκουλος η Ιπποκαστανέα |
| Greek | Αίσκουλος το ιπποκάστανο |
| Greek | Ιπποκαστανιά |
| Greek | Αγριοκαστανιά |
| Esperanto | hipokaŝtano |
| Esperanto | hipokastano |
| Estonian | harilik hobukastan |
| Basque | indi gaztainondo |
| Basque | indi-gaztaina |
| Basque | indigaztaina |
| Basque | indigaztainondo |
| Basque | itsas gaztaina |
| Basque | indi gaztaina |
| Persian | شاهبلوط هندی |
| Finnish | balkaninhevoskastanja |
| Finnish | hevoskastanja |
| French | marronnier d'inde |
| French | marronier |
| French | maronnier |
| French | marronier d'inde |
| French | marronnier commun |
| frr | hingstkastanje |
| Irish | crann cnó capaill |
| Galician | castiñeiro das bruxas |
| Galician | castiñeiro de indias |
| Swiss German | rosskastanie |
| Hebrew | אאסקולוס |
| Hebrew | ערמונית הסוסים |
| Croatian | divlji kesten |
| Upper Sorbian | běły jěrowc |
| Hungarian | bokrétafa |
| Hungarian | fehér vadgesztenye |
| Hungarian | vadgesztenye |
| Hungarian | közönséges vadgesztenye |
| Armenian | Ձիակասկ սովորական |
| Igbo | conker tree |
| Igbo | horse chestnut |
| Igbo | horse chestnut tree |
| Igbo | horse-chestnut |
| Igbo | white horse chestnut |
| Igbo | common horse chestnut |
| Igbo | european horse chestnut |
| Igbo | buckeye |
| Igbo | aesculus asplenifolia |
| io | marono |
| io | kastaniero |
| Icelandic | hestakastanía |
| Italian | castagno d'india |
| Italian | ippocastani |
| Italian | ippocastano |
| Japanese | マロニエ |
| Japanese | セイヨウトチノキ |
| Japanese | ホワイトチェストナット |
| Georgian | ცხენისწაბლა |
| Korean | 서양칠엽수 |
| Korean | 마로니에 |
| lb | wëlle käschtebam |
| Lithuanian | paprastasis kaštonas |
| Latvian | zirgkastanis |
| Latvian | parastā zirgkastaņa |
| Macedonian | Див костен |
| Norwegian Bokmål | hestekastanje |
| Dutch | witte paardenkastanje |
| Dutch | witte paardekastanje |
| Norwegian Nynorsk | hestekastanje |
| oc | marronièr d'Índia |
| Polish | kasztanowiec biały |
| Polish | kasztanowiec pospolity |
| Polish | kasztanowiec zwyczajny |
| Portuguese | castanha da Índia |
| Portuguese | castanha-da-índia |
| Portuguese | castanheiro da índia |
| Portuguese | castanheiro-da-índia |
| Romanian | castan salbatic |
| Romanian | castan sălbatic |
| Russian | Каштан конский обыкновенный |
| Russian | Конский каштан обыкновенный |
| Russian | конский каштан обыкновенный |
| sc | ippocastanu |
| sco | chestane |
| Samogitian | kaštuons |
| Serbo-Croatian | divlji kesten |
| Slovak | gaštan pravý |
| Slovak | pagaštan konský |
| Slovenian | navadni divji kostanj |
| Albanian | gështenja e egër |
| Serbian | дивљи кестен |
| Swedish | hästkastanje |
| Swedish | hästkastanj |
| Turkish | beyaz çiçekli at kestanesi |
| Ukrainian | Гіпокаштан звичайний |
| Ukrainian | Каштан кінський |
| Ukrainian | Кінський каштан звичайний |
| Ukrainian | Гіркокаштан звичайний |
| Chinese | 娑罗子 |
| Chinese | 欧洲七叶树 |
| Chinese | 猴板栗 |
| Chinese | 歐洲七葉樹 |
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
-
Asia-temperate click to expand
-
Middle Asia
- Kazakhstan
- Turkmenistan
- Uzbekistan
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Western Asia
- Turkey
-
Middle Asia
-
Australasia click to expand
-
New Zealand
- New Zealand South
-
New Zealand
-
Europe click to expand
-
Eastern Europe
- Central European Russia
- South European Russia
-
Middle Europe
- Austria
- Belgium
- Czechoslovakia
- Germany
- Hungary
- Poland
- Switzerland
-
Northern Europe
- Great Britain
- Ireland
-
Southeastern Europe
- Albania
- Bulgaria
- Greece
- Romania
- Yugoslavia
-
Southwestern Europe
- France
- Spain
-
Eastern Europe
-
Northern America click to expand
-
Eastern Canada
- Ontario
- Québec
-
North-central U.S.A.
- Illinois
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Northeastern U.S.A.
- Connecticut
- Massachusetts
- Michigan
- New Jersey
- New York
- Ohio
- Pennsylvania
- Vermont
- West Virginia
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Northwestern U.S.A.
- Oregon
- Washington
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Southeastern U.S.A.
- Alabama
- Kentucky
- Maryland
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Western Canada
- British Columbia
-
Eastern Canada
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000522287 |
| UNII | 2331W47PSX |
| Flora of Alabama | 2614 |
| Cornell Woody Plants | 17 |
| Canadensys | 9219 |
| USDA Plants | AEHI |
| UConn | 37 |
| Tropicos | 15500008 |
| INPN | 80334 |
| Flora of Italy | 3045 |
| KEW | urn:lsid:ipni.org:names:781594-1 |
| The Plant List | kew-2624517 |
| Missouri Botanical Garden | 281047 |
| PaleoBotany | 122675 |
| Open Tree Of Life | 404238 |
| NCBI Taxonomy | 43364 |
| NBN Atlas | NBNSYS0000004580 |
| Nature Serve | 2.149458 |
| IUCN Red List | 202914 |
| IPNI | 781594-1 |
| iNaturalist | 84298 |
| GBIF | 3189815 |
| Freebase | /m/0502nl |
| EPPO | AECHI |
| EOL | 582243 |
| Elurikkus | 2573 |
| Calflora (Californian flora) | 12186 |
| US Library of Congress | sh85062098 |
| USDA GRIN | 1628 |
| Wikipedia | Aesculus_hippocastanum |
| CMAUP | NPO23044 |
| Plantarium | 868 |
| PFAF | Aesculus hippocastanum |
Genomes (via NCBI) Top
Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
If you wish to browse all genomes for this plant click here.
| Accession | Assembly | |||||
|---|---|---|---|---|---|---|
| Name | Level | Submitter | Released | Coverage | Size | |
| GCA_965199115.1 | drAesHipp1.hap1.1 | Chromosome | WELLCOME SANGER INSTITUTE | 2025-03-13 | 58 | 489.80 Mb |
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
If you wish to see all the related articles click here.
Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
You can also contribute to this by clicking here.
| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Benzenoids / Benzene and substituted derivatives | |||||
| Phenethyl phenylacetate | 7601 | Click to see | 240.30 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives | |||||
| 4-Hydroxybenzoic acid | 135 | Click to see C1=CC(=CC=C1C(=O)O)O | 138.12 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives | |||||
| Vanillic Acid | 8468 | Click to see COC1=C(C=CC(=C1)C(=O)O)O | 168.15 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives | |||||
| Benzaldehyde | 240 | Click to see | 106.12 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls | |||||
| Benzyl formate | 7708 | Click to see C1=CC=C(C=C1)COC=O | 136.15 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Benzenoids / Naphthalenes / Phenylnaphthalenes | |||||
| 2-methoxy-9-phenyl-1H-phenalen-1-one | 10085389 | Click to see | 286.30 | unknown | via CMAUP database |
| 2,3-Dimethoxy-4-phenylphenalen-1-one | 85730244 | Click to see COC1=C(C(=O)C2=CC=CC3=C2C1=C(C=C3)C4=CC=CC=C4)OC | 316.30 | unknown | via CMAUP database |
| 5-Hydroxy-2,6-dimethoxy-7-phenylphenalen-1-one | 85730242 | Click to see COC1=CC2=CC(=C(C3=C(C=CC(=C23)C1=O)C4=CC=CC=C4)OC)O | 332.30 | unknown | via CMAUP database |
| 5-Hydroxy-6-methoxy-7-phenylphenalen-1-one | 85730238 | Click to see COC1=C(C=C2C=CC(=O)C3=C2C1=C(C=C3)C4=CC=CC=C4)O | 302.30 | unknown | via CMAUP database |
| 7,8-Dimethoxy-6-phenylphenalen-1-one | 85730248 | Click to see | 316.30 | unknown | via CMAUP database |
| 9-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one | 85846875 | Click to see | 304.30 | unknown | via CMAUP database |
| Anigorufone | 636472 | Click to see | 272.30 | unknown | via CMAUP database |
| Hydroxyanigorufone | 11471752 | Click to see C1=CC2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O | 288.30 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
| 2,6,7-Trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene | 101414595 | Click to see | 202.33 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| Myristic Acid | 11005 | Click to see | 228.37 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| Palmitoleic Acid | 445638 | Click to see CCCCCCC=CCCCCCCCC(=O)O | 254.41 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| Stearic Acid | 5281 | Click to see | 284.50 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| Lauric Acid | 3893 | Click to see | 200.32 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| 1-Decanol | 8174 | Click to see | 158.28 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| 2-Dodecen-1-ol | 90733 | Click to see | 184.32 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols | |||||
| 2-Tridecen-1-ol | 110370 | Click to see CCCCCCCCCCC=CCO | 198.34 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Linoleic Acid | 5280450 | Click to see | 280.40 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| Linolenic Acid | 5280934 | Click to see | 278.40 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| Geraniol | 637566 | Click to see CC(=CCCC(=CCO)C)C | 154.25 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (+-)-alpha-Pinene | 6654 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| Beta-Pinene | 14896 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| Camphene | 6616 | Click to see | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Lipids and lipid-like molecules / Prenol lipids / Polyprenols | |||||
| (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-OL | 14380581 | Click to see | 835.40 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1265179/ |
| 3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-ol | 162888204 | Click to see | 835.40 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1265179/ |
| > Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Prenylquinones / Polyprenylbenzoquinones | |||||
| 2,3-Dimethyl-5-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione | 162952342 | Click to see | 681.10 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione | 101967154 | Click to see | 681.10 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| Caryophyllene | 5281515 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| Selma-4(14),7(1 I)-dlene-9-01 (I) | 73828322 | Click to see | 220.35 | unknown | https://doi.org/10.1021/JF071709T |
| > Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids | |||||
| Taraxerol | 92097 | Click to see | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| (2S,3S,4S,5R,6R)-6-(((4S,6Bs,8R,9R)-9-Acetyloxy-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-10-((E)-2-Methylbut-2-Enoyl)Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy)-4-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxy-5-((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxane-2-Carboxylic Acid | 16211024 | Click to see | 1131.30 | unknown |
https://doi.org/10.1111/J.2042-7158.1994.TB05716.X https://doi.org/10.1016/S0021-9673(99)00071-0 https://doi.org/10.1002/OMS.1210261115 https://doi.org/10.1016/0960-8524(95)00128-X https://doi.org/10.1055/S-2006-960016 https://doi.org/10.1021/AC60146A033 https://doi.org/10.1016/S0021-9673(01)87884-5 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid | 100917536 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | 1115.30 | unknown |
https://doi.org/10.1248/CPB.42.1357 https://doi.org/10.1248/CPB.46.1764 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 100917539 | Click to see CC(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O | 1119.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 100917537 | Click to see CC(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O | 1119.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2R)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 163026456 | Click to see | 1133.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid | 46905212 | Click to see | 1101.20 | unknown | via CMAUP database |
| (2S,3S,4S,5R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 123134563 | Click to see | 1131.30 | unknown |
https://doi.org/10.1111/J.2042-7158.1994.TB05716.X https://doi.org/10.1016/S0021-9673(99)00071-0 https://doi.org/10.1002/OMS.1210261115 https://doi.org/10.1055/S-2006-960016 https://doi.org/10.1016/S0021-9673(01)87884-5 |
| (3beta,16alpha,21beta,22alpha)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->4)]-beta-D-glucopyranosiduronic acid | 10057040 | Click to see | 1115.30 | unknown | https://doi.org/10.1248/CPB.44.1454 |
| 6-({8a-[(Acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid | 72988005 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O | 1131.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| 6-[[8a-(Acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 85221360 | Click to see | 1119.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| 6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid | 75249379 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(CO8)O)O)O)C)CO)OC(=O)C | 1101.20 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| 6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 4555259 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | 1131.30 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| 6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 85263431 | Click to see | 1133.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| 6-[[9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylpropanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 76551295 | Click to see CC(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | 1119.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| 6-[[9-Acetyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 73109895 | Click to see | 1115.30 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1248/CPB.46.1764 https://doi.org/10.1248/CPB.42.1357 |
| Beta-Escin, beta-Reparil, beta-Aescinu | 6441501 | Click to see | 2262.50 | unknown | https://doi.org/10.1016/0960-8524(95)00128-X |
| Escin Ia | 6476030 | Click to see | 1131.30 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| Escin Ib | 6476031 | Click to see | 1131.30 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| Escin IIB | 10260627 | Click to see | 1101.20 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| Escin IV | 91864489 | Click to see | 1091.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| Escin V | 91864490 | Click to see CC(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | 1119.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| Escin VI | 91864491 | Click to see CCC(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | 1133.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| Isoescin IA | 6476032 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)C)O | 1131.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| Isoescin IB | 6476033 | Click to see | 1131.30 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| > Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes | |||||
| alpha-Carotene | 6419725 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C | 536.90 | unknown | https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls | |||||
| Lutein A | 5281243 | Click to see | 568.90 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 100919357 | Click to see | 460.70 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| (1S,2R,6S,7S,12R,13R,16S,20R,21R,24S,26R,29R)-1,4,4,10,10,14,14,21,25,25,29-undecamethyl-3,5,9,11-tetraoxaheptacyclo[15.12.0.02,6.07,12.07,16.020,29.021,26]nonacos-17-ene-13,24-diol | 44559566 | Click to see | 586.80 | unknown | https://doi.org/10.1021/NP50046A015 |
| (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenal | 100919356 | Click to see | 458.70 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| (2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal | 9845703 | Click to see | 432.60 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,10R,12aS,14aR,14bR)-9,10-diacetyloxy-8-hydroxy-4-(hydroxymethyl)-8a-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 163085414 | Click to see CC(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)OC)OC(=O)C | 1091.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| (3R,4R,4aR,5R,6aR,6aS,6bR,9S,10S,12aR,14bR)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol | 131636595 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)CO)O)C)C | 506.70 | unknown | https://doi.org/10.1016/0731-7085(89)80139-6 |
| (3S,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | 102004740 | Click to see | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| (3S,5R,10R,13S,14S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | 472759 | Click to see | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (E)-2-methylbut-2-enoate | 44559628 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C)O)C)CO)OC(=O)C(=CC)C | 670.90 | unknown | https://doi.org/10.1021/NP50046A015 |
| 6-[[9,10-Diacetyloxy-8-hydroxy-4-(hydroxymethyl)-8a-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | 163085413 | Click to see | 1091.20 | unknown | https://doi.org/10.1248/CPB.46.1764 |
| Alpha-Amyrin | 73170 | Click to see | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| barringtogenol-C 21-angelate | 21633166 | Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO)O | 572.80 | unknown | https://doi.org/10.1021/NP50046A015 |
| Beta-Amyrin | 73145 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| Parkeol | 12313974 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C | 426.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| R1-Barrigenol | 21574243 | Click to see | 506.70 | unknown | https://doi.org/10.1021/NP50046A015 |
| Theasapogenol B | 185465 | Click to see | 490.70 | unknown | https://doi.org/10.1021/NP50046A015 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives | |||||
| [(1S,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate | 162975981 | Click to see CC(C)C1CCC2(C1C3(CCC4C(=CCC5C4(CCC(C5(C)C)OC(=O)C)C)C3(CC2)C)C)C | 468.80 | unknown |
https://doi.org/10.1248/CPB.44.1454 https://doi.org/10.1016/S0960-894X(97)00275-8 https://doi.org/10.1248/CPB.42.1357 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives | |||||
| Cholesterol | 5997 | Click to see | 386.70 | unknown | https://doi.org/10.1016/S0031-9422(00)84127-8 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives | |||||
| 7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol | 162820419 | Click to see | 438.70 | unknown | https://doi.org/10.1016/S0031-9422(00)80819-5 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives | |||||
| (24R)-5-Ergosten-3beta-ol | 312822 | Click to see | 400.70 | unknown | https://doi.org/10.1016/S0031-9422(00)84127-8 |
| (3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 134766514 | Click to see | 400.70 | unknown |
https://doi.org/10.1016/S0031-9422(00)84127-8 https://doi.org/10.1016/S0031-9422(00)85174-2 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (5S,9S,10S,13R,14R)-17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 137706369 | Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C | 412.70 | unknown | https://doi.org/10.1016/S0031-9422(00)84127-8 |
| 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/10.1016/S0031-9422(00)85174-2 https://doi.org/10.1016/S0031-9422(00)84127-8 |
| alpha-Spinasterin | 5281331 | Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C | 412.70 | unknown | https://doi.org/10.1016/S0031-9422(00)84127-8 |
| 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/10.1016/S0031-9422(00)84127-8 |
| Stigmast-5-en-3-ol | 22012 | Click to see | 414.70 | unknown | https://doi.org/10.1016/S0031-9422(00)84127-8 |
| Stigmasterol | 5280794 | Click to see | 412.70 | unknown |
https://doi.org/10.1016/S0031-9422(00)85174-2 https://doi.org/10.1016/S0031-9422(00)84127-8 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives | |||||
| 3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid | 19423296 | Click to see | 349.40 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
| Butyl Acetate | 31272 | Click to see | 116.16 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives | |||||
| Citric Acid | 311 | Click to see | 192.12 | unknown | https://doi.org/10.1002/PRAC.18671020118 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes | |||||
| 3-Methylbutanal | 11552 | Click to see | 86.13 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes | |||||
| 5-Hydroxyl methyl furfural | 136360357 | Click to see | 126.11 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| Nonanal | 31289 | Click to see CCCCCCCCC=O | 142.24 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes | |||||
| 4-Hydroxybenzaldehyde | 126 | Click to see | 122.12 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isobenzofurans | |||||
| (3S,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one | 776141 | Click to see | 232.27 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| Gamma-Butyrolactone | 7302 | Click to see | 86.09 | unknown | https://doi.org/10.1080/10412905.1994.9698335 |
| > Organoheterocyclic compounds / Naphthopyrans | |||||
| (1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-13,14-dihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione | 11387018 | Click to see CC(C)C1=C2C(C3C4C(C(C(C(C4(C2=CC(=O)O1)C)Cl)O)O)(C(=O)O3)C)OC5C(C(CO5)(CO)O)O | 530.90 | unknown | https://doi.org/10.1002/(SICI)1522-2675(19981007)81:10<1815::AID-HLCA1815>3.0.CO;2-R |
| > Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
| (2S,3R,4S,5S,6R)-2-[4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 21575645 | Click to see | 614.60 | unknown | via CMAUP database |
| Anigopreissin A | 636473 | Click to see | 452.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| Ferulic Acid | 445858 | Click to see | 194.18 | unknown | via CMAUP database |
| P-Coumaric Acid | 637542 | Click to see | 164.16 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides | |||||
| 7-hydroxy-6-methoxy-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | 7275751 | Click to see | 370.31 | unknown | via CMAUP database |
| Esculin | 5281417 | Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O | 340.28 | unknown | via CMAUP database |
| Esculin hydrate | 16211025 | Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O | 358.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins | |||||
| Esculetin | 5281416 | Click to see | 178.14 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7,8-dihydroxycoumarins | |||||
| Fraxetin | 5273569 | Click to see | 208.17 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids | |||||
| (1R,5R,6R,13R,21R)-16-[(1R,5R,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 16165526 | Click to see | 1151.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (1R,5R,6R,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 22209802 | Click to see | 864.80 | unknown | https://doi.org/10.1016/0031-9422(94)00637-9 |
| (1R,5R,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 13990887 | Click to see | 864.80 | unknown | https://doi.org/10.1016/0031-9422(94)00637-9 |
| (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 162930948 | Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=CC7=C6C8C(C(O7)(OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (1R,5R,6S,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 101915834 | Click to see | 864.80 | unknown | https://doi.org/10.1016/0031-9422(94)00637-9 |
| (1R,5S,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 100875781 | Click to see | 864.80 | unknown | https://doi.org/10.1016/0031-9422(94)00637-9 |
| (1R,5S,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 162930950 | Click to see | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (1R,6R,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol | 45359583 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (1S,5S,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 101683296 | Click to see | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (1S,7R,8R,21R)-7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),15,17,19-hexaene-3,8,17,19,21-pentol | 163188415 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (2R,15R)-2alpha,8-Bis(3,4-dihydroxyphenyl)-3,4-dihydro-10-[(2R)-2alpha-(3,4-dihydroxyphenyl)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4beta-yl]-8beta,14beta-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3alpha,5,11,13,15-pentol | 13990882 | Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C(C(=CC(=C45)O)O)C6C(C(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O | 864.80 | unknown |
https://doi.org/10.1016/0031-9422(94)00637-9 https://doi.org/10.1248/CPB.35.4717 |
| (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol | 12003800 | Click to see | 866.80 | unknown |
https://doi.org/10.1016/0031-9422(94)00637-9 https://doi.org/10.1248/CPB.35.4717 |
| (2R,3R)-2-(3,4-dihydroxyphenyl)-6-((2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-chromene-3,5,7-triol | 11649946 | Click to see | 578.50 | unknown | via CMAUP database |
| (2S,3R,8S,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-3,4-dihydro-2H,14H-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol | 13556387 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| (7S,19R,26R,27R,31R,32R)-7,19,27-tris(3,4-dihydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol | 132573870 | Click to see | 862.70 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| [Epicatechin-(4beta->6)]2-epicatechin | 163184612 | Click to see | 866.80 | unknown | https://doi.org/10.1016/0031-9422(94)00637-9 |
| 16-[5,13-Bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 16165525 | Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C(C(=CC(=C45)O)O)C6C(C(OC7=C6C(=CC8=C7C9C(C(O8)(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O | 1151.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| 2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,5,7-triol | 15593127 | Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O | 866.80 | unknown |
https://doi.org/10.1248/CPB.35.4717 https://doi.org/10.1016/0031-9422(94)00637-9 |
| 5,13-bis(3,4-dihydroxyphenyl)-16-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 11714868 | Click to see | 864.80 | unknown |
https://doi.org/10.1248/CPB.35.4717 https://doi.org/10.1016/0031-9422(94)00637-9 |
| 5,13-bis(3,4-dihydroxyphenyl)-16-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 16165527 | Click to see | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| 5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | 16165520 | Click to see | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Aescultitannin B | 10010849 | Click to see | 864.80 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Cinnamtannin B1 | 475277 | Click to see | 864.80 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Cinnamtannin B2 | 16130973 | Click to see | 1153.00 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| ent-Epicatechin-(4alpha->6)-ent-epicatechin | 13990892 | Click to see | 578.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Epicatechin-(2beta->5,4beta->6)-ent-epicatechin | 14841178 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Epicatechin-(2beta->7,4beta->6)-catechin | 13990878 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Pavetannin A2 | 10415767 | Click to see | 576.50 | unknown | via CMAUP database |
| Pavetannin B6 | 13990885 | Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O | 864.80 | unknown |
https://doi.org/10.1248/CPB.35.4717 https://doi.org/10.1016/0031-9422(94)00637-9 |
| Proanthocyanidin B2 | 5320711 | Click to see | 578.50 | unknown |
https://doi.org/10.1248/CPB.35.4717 https://doi.org/10.1055/S-0031-1299862 |
| Procyanidin A1 | 5089889 | Click to see | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Procyanidin A2 | 124025 | Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O | 576.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Procyanidin B | 130556 | Click to see | 578.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Procyanidin B1 | 11250133 | Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O | 578.50 | unknown | via CMAUP database |
| Procyanidin B2, (+)- | 122738 | Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O | 578.50 | unknown |
https://doi.org/10.1248/CPB.35.4717 https://doi.org/10.1055/S-0031-1299862 |
| Procyanidin B5 | 124017 | Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O | 578.50 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Procyanidin C1 | 169853 | Click to see | 866.80 | unknown |
https://doi.org/10.1055/S-0031-1299862 https://doi.org/10.1248/CPB.35.4717 |
| Procyanidin trimer T2 | 13751990 | Click to see | 866.80 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins | |||||
| 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 1203 | Click to see | 290.27 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| Epicatechin | 72276 | Click to see | 290.27 | unknown | https://doi.org/10.1248/CPB.35.4717 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides | |||||
| [(2R,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate | 10393794 | Click to see | 600.50 | unknown | via CMAUP database |
| [(2R,3S,4S,5R,6S)-6-[5-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetate | 163009172 | Click to see | 947.80 | unknown | https://doi.org/10.1055/S-1999-14038 |
| [(2R,3S,4S,5R,6S)-6-[5-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl pyridine-3-carboxylate | 101005209 | Click to see | 863.70 | unknown | https://doi.org/10.1055/S-1999-14038 |
| [6-[5-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate | 163009171 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)CC7(C8=CC=CC=C8NC7=O)O)O)O)O)CO)O)O)O)O)O | 947.80 | unknown | https://doi.org/10.1055/S-1999-14038 |
| [6-[5-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl pyridine-3-carboxylate | 163038346 | Click to see | 863.70 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxychromen-4-one | 163186915 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O | 758.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 2-(3,4-Dihydroxyphenyl)-3-[3-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxychromen-4-one | 162982478 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O | 758.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one | 51402807 | Click to see | 464.40 | unknown | https://doi.org/10.1007/BF00574807 |
| 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxychromen-4-one | 163005892 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O | 758.60 | unknown | https://doi.org/10.1021/JF071709T |
| 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 102148646 | Click to see | 610.50 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 162881700 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O | 742.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 162923293 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O | 758.60 | unknown | https://doi.org/10.1021/JF071709T |
| 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 44566719 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)CO)O)O)O)O)O | 758.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 162951704 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O | 610.50 | unknown | https://doi.org/10.1021/JF071709T |
| 3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 162946163 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O | 594.50 | unknown | https://doi.org/10.1021/JF071709T |
| 3-[3-[3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 162881699 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O | 742.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 13845899 | Click to see | 610.50 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 73981676 | Click to see | 594.50 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 14825575 | Click to see | 596.50 | unknown |
https://doi.org/10.1021/JF071709T https://doi.org/10.1055/S-1999-14038 |
| 3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 162923292 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O | 758.60 | unknown | https://doi.org/10.1021/JF071709T |
| 3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 74978171 | Click to see | 758.60 | unknown | https://doi.org/10.1055/S-1999-14038 |
| 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | 163023504 | Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(CO6)O)O)O)O | 772.70 | unknown | https://doi.org/10.1021/JF071709T |
| 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one | 162996932 | Click to see | 742.60 | unknown | https://doi.org/10.1021/JF071709T |
| 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 162902515 | Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(CO6)O)O)O)OC7C(C(C(C(O7)CO)O)O)O | 934.80 | unknown | https://doi.org/10.1021/JF071709T |
| 5,7-Dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | 163023503 | Click to see | 772.70 | unknown | https://doi.org/10.1021/JF071709T |
| 5,7-Dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one | 162996931 | Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O | 742.60 | unknown | https://doi.org/10.1021/JF071709T |
| 5,7-Dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | 162902514 | Click to see | 934.80 | unknown | https://doi.org/10.1021/JF071709T |
| Kaempferol 3-O-glucosyl-(1->2)-rhamnoside | 74978069 | Click to see | 594.50 | unknown | https://doi.org/10.1021/JF071709T |
| Leucoside | 44566720 | Click to see | 580.50 | unknown |
https://doi.org/10.1021/JF071709T https://doi.org/10.1055/S-1999-14038 |
| Multiflorin B | 5319938 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)O | 594.50 | unknown | https://doi.org/10.1055/S-1999-14038 |
| Quercetin 3-(2-glucosylrhamnoside) | 14238625 | Click to see | 610.50 | unknown | https://doi.org/10.1021/JF071709T |
| Quercetin 3-O-Sambubioside | 5487635 | Click to see | 596.50 | unknown |
https://doi.org/10.1021/JF071709T https://doi.org/10.1055/S-1999-14038 |
| Quercitrin-7-olate | 49792009 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)[O-])O)O)O)O | 447.40 | unknown | via CMAUP database |
| Rustoside | 74977996 | Click to see | 580.50 | unknown |
https://doi.org/10.1021/JF071709T https://doi.org/10.1055/S-1999-14038 |
| Rutin | 5280805 | Click to see | 610.50 | unknown | https://doi.org/10.1080/10826079208020870 |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one | 44258935 | Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O | 578.50 | unknown | https://doi.org/10.1007/BF00574807 |
| > Phenylpropanoids and polyketides / Phenylpropanoic acids | |||||
| 3-(4-Hydroxyphenyl)propionic acid | 10394 | Click to see C1=CC(=CC=C1CCC(=O)O)O | 166.17 | unknown | via CMAUP database |
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