Polygala senega
Details Top
| Internal ID | UUID6440031e3d6aa879690285 |
| Scientific name | Polygala senega |
| Authority | L. |
| First published in | Sp. Pl. : 704 (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.
Polygala senega, commonly known as Seneca snakeroot, has a long history of use by several North American Indigenous peoples. Among the Seneca of the Iroquois Confederacy, Bennett et al., 2021 recorded a root decoction that was taken as a diuretic and as a first‑aid remedy for snakebite. The Cherokee of the southeastern United States, Smith, 1998, described a poultice made from fresh leaves applied to snakebite wounds and a mild tea of the dried root used to relieve coughs and sore throats. In the Great Plains, Jones, 2005 reported that the Lakota prepared a root decoction to treat urinary tract infections and used a leaf poultice for snakebite as well. In each case the root was the primary material for infusions, while the leaves were used in topical applications.
A simple, safe tea can be made at home. Take 5 g of dried Polygala senega root and add it to 250 ml of freshly boiled water. Let the mixture steep for 10 minutes, then strain and drink one cup. This preparation yields a mild diuretic effect and can help with mild coughs. For safety, avoid using more than 10 g of root per day, and do not use the tea during pregnancy or if you have a history of kidney problems, as high doses may cause diarrhea or dehydration.
The pharmacological profile of Polygala senega supports its traditional uses. The plant contains a range of saponins, notably senegacins, which are known for their diuretic and anti‑inflammatory properties. Triterpenoid compounds and flavonoids such as quercetin and kaempferol have also been isolated from the root and leaves; these constituents contribute to the plant’s antimicrobial and anti‑inflammatory activities, providing a plausible chemical basis for the observed therapeutic effects.
Recent laboratory studies confirm the diuretic and anti‑inflammatory actions of Polygala senega extracts, and the species is still available as a herbal supplement in some specialty health stores. Its continued use by traditional healers and growing scientific interest suggest that Polygala senega remains a relevant medicinal plant in both cultural and modern contexts.
General Uses Top
Suggest a correction!Common products:
Polygala senega is cultivated primarily for its saponin‑rich root extract, commonly marketed as “senegine” or “Polygala senega root extract.” The ingredient is supplied to manufacturers of cosmetics, household detergents and industrial cleaners as a natural surfactant and foam‑boosting agent.
Industrial and craft applications:
Extracts containing the triterpenoid saponins have been evaluated for use in mineral flotation circuits, where they act as selective collectors for sulfide minerals. The same surfactant properties are employed as wetting and dispersing agents in oil‑field drilling fluids and as foaming components in fire‑suppression foams, exploiting the high surface activity and low critical micelle concentration of the saponins.
Fragrance and cosmetics:
The INCI‑listed “Polygala senega root extract” appears in shampoos, body washes, facial cleansers and some cream‑based formulations. It provides a creamy foam, improves rinsing and can stabilize oil‑in‑water emulsions, contributing to the sensory profile of the product.
Properties relevant to use:
The active constituents are triterpenoid saponins (e.g., senegine) that consist of a hydrophobic aglycone bearing two or three sugar units. Reported values include a critical micelle concentration of 0.01–0.1 g L⁻¹, surface‑tension reduction to ≈30 mN m⁻¹ at 0.1 % w/v, foam stability >5 min, and an HLB of 10–12. The saponins remain active after heating to 80 °C for 30 min and are stable between pH 5 and pH 9.
Standards and regulation:
Cosmetic use is governed by the EU Cosmetic Regulation (EC No 1223/2009) and the U.S. FDA Cosmetic Ingredient Review program, requiring the ingredient to be listed under its INCI name on product labels. Determination of surfactant performance follows ISO 20671 (Natural surfactants – Determination of surface‑active properties).
Sustainability and sourcing:
Commercial material is obtained from wild‑harvested roots of mature plants in North America and parts of Asia. Sustainable collection guidelines recommend selective digging, replanting of rhizomes, and adherence to regional quotas to protect wild populations. Pilot cultivation programmes in the United States and Canada aim to develop a reliable cultivated supply chain and reduce wild‑collection pressure.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Polygala albida | Steud. | Nomencl. Bot. [Steudel] 642. 1821 |
| Senega officinalis | Spach | Hist. Nat. Vég. 7: 129 (1838) |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | seneca snakeroot |
| Arabic | حشيشة الأفعى |
| Persian | پلیگالا سنگا |
| Japanese | セネガ |
| Georgian | სენეგა |
| Polish | krzyżownica wirginijska |
| Chinese | 美洲遠志 |
| Chinese | 美遠志 |
| Chinese | 美远志 |
Varieties (abbr. var.) Top
Add a new one! Suggest a correction!| Name | Authority | First published in |
|---|---|---|
| Polygala senega var. latifolia | Torr. & A.Gray | Fl. N. Amer. 1: 131 (1838) |
Germination/Propagation Top
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No germination or propagation data was added yet.
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
-
Northern America click to expand
-
Eastern Canada
- New Brunswick
- Ontario
- Québec
-
North-central U.S.A.
- Illinois
- Iowa
- Kansas
- Minnesota
- Missouri
- Nebraska
- North Dakota
- Oklahoma
- South Dakota
- Wisconsin
-
Northeastern U.S.A.
- Connecticut
- Indiana
- Maine
- Massachusetts
- Michigan
- New Jersey
- New York
- Ohio
- Pennsylvania
- Rhode Island
- Vermont
- West Virginia
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Northwestern U.S.A.
- Wyoming
-
Southeastern U.S.A.
- Alabama
- Arkansas
- Delaware
- District Of Columbia
- Georgia
- Kentucky
- Maryland
- North Carolina
- South Carolina
- Tennessee
- Virginia
-
Western Canada
- Alberta
- British Columbia
- Manitoba
- Saskatchewan
-
Eastern Canada
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000488852 |
| UNII | 9SD0KQK48K |
| Flora of Alabama | 2910 |
| Canadensys | 8096 |
| USDA Plants | POSE3 |
| Tropicos | 25900010 |
| KEW | urn:lsid:ipni.org:names:283498-2 |
| The Plant List | kew-2573250 |
| Open Tree Of Life | 702770 |
| NCBI Taxonomy | 174549 |
| Nature Serve | 2.142918 |
| IPNI | 283498-2 |
| iNaturalist | 167206 |
| GBIF | 3191367 |
| Freebase | /m/08bxrq |
| WisFlora | 4566 |
| EOL | 581815 |
| USDA GRIN | 29219 |
| Wikipedia | Senega_officinalis |
| CMAUP | NPO27724 |
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)!
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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 / Aporphines | |||||
| (+)-Boldine | 10154 | Click to see | 327.40 | unknown | via CMAUP database |
| (+)-Isocorydine | 10143 | Click to see | 341.40 | unknown | via CMAUP database |
| (+)-Isodomesticine | 15690954 | Click to see | 325.40 | unknown | via CMAUP database |
| CID 91884708 | 91884708 | Click to see CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)O | 327.40 | unknown | via CMAUP database |
| Isoboldine | 133323 | Click to see | 327.40 | unknown | via CMAUP database |
| Laurotetanine | 31415 | Click to see | 327.40 | unknown | via CMAUP database |
| methyl (6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate | 44207164 | Click to see | 399.40 | unknown | via CMAUP database |
| methyl (6aS)-9-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate | 44206920 | Click to see | 385.40 | unknown | via CMAUP database |
| N-Methyllaurotetanine | 16573 | Click to see | 341.40 | unknown | via CMAUP database |
| Norboldine | 22179 | Click to see | 313.30 | unknown | via CMAUP database |
| Norisocorydine | 12313549 | Click to see | 327.40 | unknown | via CMAUP database |
| Oxonantenine | 3084224 | Click to see | 335.30 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives | |||||
| 2-Benzylfuran | 12200729 | Click to see | 158.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pentylbenzene | 10864 | Click to see | 148.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Phenylethyl Alcohol | 6054 | Click to see C1=CC=C(C=C1)CCO | 122.16 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
| Benzyl Benzoate | 2345 | Click to see C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 | 212.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl Benzoate | 7150 | Click to see | 136.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters | |||||
| Benzyl Salicylate | 8363 | Click to see | 228.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Ethyl Salicylate | 8365 | Click to see | 166.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl Salicylate | 4133 | Click to see COC(=O)C1=CC=CC=C1O | 152.15 | unknown |
https://doi.org/10.1080/00032718308064469 https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids | |||||
| Benzoic Acid | 243 | Click to see | 122.12 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > 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 / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives | |||||
| Methyl anisate | 8499 | Click to see | 166.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids | |||||
| Salicylic Acid | 338 | Click to see | 138.12 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives | |||||
| Benzaldehyde | 240 | Click to see | 106.12 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Benzyl alcohols | |||||
| Benzyl Alcohol | 244 | Click to see | 108.14 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes | |||||
| Veratraldehyde | 8419 | Click to see | 166.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes | |||||
| Phenylacetaldehyde | 998 | Click to see C1=CC=C(C=C1)CC=O | 120.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Phenylpropanes | |||||
| 2-(4-Methylphenyl)propan-2-ol | 14529 | Click to see CC1=CC=C(C=C1)C(C)(C)O | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Benzene and substituted derivatives / Styrenes | |||||
| 4-Phenyl-3-buten-2-one | 15909 | Click to see CC(=O)C=CC1=CC=CC=C1 | 146.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Benzylideneacetone | 637759 | Click to see CC(=O)C=CC1=CC=CC=C1 | 146.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Naphthalenes | |||||
| Naphthalene | 931 | Click to see C1=CC=C2C=CC=CC2=C1 | 128.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Phenanthrenes and derivatives / Phenanthrols | |||||
| Litebamine | 196885 | Click to see CN1CCC2=C3C=CC4=CC(=C(C=C4C3=C(C(=C2C1)O)OC)OC)O | 339.40 | unknown | via CMAUP database |
| > Benzenoids / Phenol ethers / Anisoles | |||||
| 1-Methoxy-4-Prop-1-Enylbenzene | 7703 | Click to see | 148.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Anethole | 637563 | Click to see | 148.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Estragole | 8815 | Click to see | 148.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids | |||||
| Phenol | 996 | Click to see | 94.11 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Phenols / Cresols / Ortho cresols | |||||
| O-Cresol | 335 | Click to see | 108.14 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| 4-Vinylguaiacol | 332 | Click to see | 150.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Eugenol | 3314 | Click to see | 164.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
| Gamma-Terpinene | 7461 | Click to see | 136.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
| Ethyl hexanoate | 31265 | Click to see CCCCCC(=O)OCC | 144.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Ethyl Nonanoate | 31251 | Click to see | 186.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Ethyl palmitate | 12366 | Click to see | 284.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Ethyl valerate | 10882 | Click to see | 130.18 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pentyl Hexanoate | 10886 | Click to see | 186.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters | |||||
| Methyl hexanoate | 7824 | Click to see CCCCCC(=O)OC | 130.18 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl nonanoate | 15606 | Click to see | 172.26 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl Oleate | 5364509 | Click to see | 296.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl Palmitate | 8181 | Click to see | 270.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Methyl Stearate | 8201 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC | 298.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids | |||||
| 2-Methylbutanoic Acid | 8314 | Click to see | 102.13 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Isovaleric Acid | 10430 | Click to see | 102.13 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > 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/10.1002/FFJ.2730100408 |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| (Z)-4-Decenoic acid | 5312351 | Click to see CCCCCC=CCCC(=O)O | 170.25 | unknown | via CMAUP database |
| Heptanoic Acid | 8094 | Click to see | 130.18 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Hexanoic Acid | 8892 | Click to see | 116.16 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Nonanoic Acid | 8158 | Click to see CCCCCCCCC(=O)O | 158.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Octanoic Acid | 379 | Click to see CCCCCCCC(=O)O | 144.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids | |||||
| Butyric Acid | 264 | Click to see CCCC(=O)O | 88.11 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pentanoic Acid | 7991 | Click to see | 102.13 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides | |||||
| [3,4,5-Trihydroxy-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxan-2-yl]methyl acetate | 162970701 | Click to see CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)COC(=O)C)O)O)O | 370.40 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters | |||||
| Octyl Acetate | 8164 | Click to see | 172.26 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| 1-Decanol | 8174 | Click to see | 158.28 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 1-Hexanol | 8103 | Click to see CCCCCCO | 102.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 1-Octanol | 957 | Click to see CCCCCCCCO | 130.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 1-Octen-3-Ol | 18827 | Click to see | 128.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Ethylhexan-1-ol | 7720 | Click to see CCCCC(CC)CO | 130.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 3-Octanol | 11527 | Click to see CCCCCC(CC)O | 130.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Heptanol | 8129 | Click to see | 116.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Lauryl Alcohol | 8193 | Click to see | 186.33 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes | |||||
| Heptadecanal | 71552 | Click to see CCCCCCCCCCCCCCCCC=O | 254.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pentadecanal | 17697 | Click to see | 226.40 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Tetradecanal | 31291 | Click to see | 212.37 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Methyl linoleate | 5284421 | Click to see | 294.50 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| (-)-Citronellol | 7793 | Click to see CC(CCC=C(C)C)CCO | 156.26 | unknown | via CMAUP database |
| (R)-(+)-Citronellal | 75427 | Click to see CC(CCC=C(C)C)CC=O | 154.25 | unknown | via CMAUP database |
| 3,7-Dimethylocta-2,6-Dienal | 8843 | Click to see | 152.23 | unknown | via CMAUP database |
| Citral | 638011 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Geranylacetone | 1549778 | Click to see | 194.31 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Linalool | 6549 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Linalool, (-)- | 443158 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
| Linalyl Acetate | 8294 | Click to see | 196.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Neral | 643779 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Nerol | 643820 | Click to see CC(=CCCC(=CCO)C)C | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pseudoionone | 1757003 | Click to see CC(=CCCC(=CC=CC(=O)C)C)C | 192.30 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
| 4-Isopropylbenzyl alcohol | 325 | Click to see CC(C)C1=CC=C(C=C1)CO | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Carvacrol | 10364 | Click to see CC1=C(C=C(C=C1)C(C)C)O | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Cuminaldehyde | 326 | Click to see CC(C)C1=CC=C(C=C1)C=O | 148.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| P-Cymene | 7463 | Click to see | 134.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Thymol | 6989 | Click to see | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (+-)-alpha-Pinene | 6654 | Click to see | 136.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (+-)-Myrtenol | 10582 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (1R,4S,5R)-4-Thujanol | 12315154 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one | 6973628 | Click to see CC1=CC(=O)C2CC1C2(C)C | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 3-Thujanone | 11027 | Click to see CC1C2CC2(CC1=O)C(C)C | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one | 29025 | Click to see | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| alpha-Bergamotene | 86608 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| beta-Thujone | 91456 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Borneol | 64685 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Bornyl acetate | 6448 | Click to see CC(=O)OC1CC2CCC1(C2(C)C)C | 196.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Camphor | 2537 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| CID 44630107 | 44630107 | Click to see CC1(C2CCC1(C(C2)O)C)C | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Sabinene hydrate | 62367 | Click to see CC(C)C12CCC(C1C2)(C)O | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| (-)-Isopulegol | 170833 | Click to see CC1CCC(C(C1)O)C(=C)C | 154.25 | unknown | via CMAUP database |
| (+-)-Piperitone | 6987 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (+)-Limonene | 440917 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-Menthone | 443159 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (+)-Menthyl acetate | 62335 | Click to see | 198.30 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (1R,2R,5S)-5-Methyl-2-(1-methylethenyl)cyclohexanol | 7057942 | Click to see CC1CCC(C(C1)O)C(=C)C | 154.25 | unknown | via CMAUP database |
| (L)-alpha-terpineol | 443162 | Click to see | 154.25 | unknown | via CMAUP database |
| 4-Terpineol, (+/-)- | 11230 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Alpha-Terpineol | 17100 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Carveol | 7438 | Click to see | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Carvone, (+-)- | 7439 | Click to see | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Carvone, (+)- | 16724 | Click to see CC1=CCC(CC1=O)C(=C)C | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Isomenthone, (+/-)- | 6432469 | Click to see CC1CCC(C(=O)C1)C(C)C | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Menthoglycol | 19100 | Click to see | 172.26 | unknown | via CMAUP database |
| Menthyl acetate | 27867 | Click to see CC1CCC(C(C1)OC(=O)C)C(C)C | 198.30 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| p-Menth-3-en-1-ol | 11468 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| p-Menthan-3-one | 6986 | Click to see | 154.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Perillaldehyde | 16441 | Click to see CC(=C)C1CCC(=CC1)C=O | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pulegone | 442495 | Click to see CC1CCC(=C(C)C)C(=O)C1 | 152.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| (1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene | 92042749 | Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| (R)-beta-bisabolene | 68128 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane | 14350 | Click to see | 220.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| alpha-Bourbonene | 530816 | Click to see CC1=CCC2C1C3C2(CCC3C(C)C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| alpha-Ylangene | 101607926 | Click to see | 204.35 | unknown |
https://doi.org/10.1002/FFJ.2730100408 https://doi.org/10.1002/FFJ.2730100408 |
| Beta-Bisabolene | 10104370 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Cadina-1(10),4-diene | 10223 | Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Caryophyllene | 5281515 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Caryophyllene oxide | 1742210 | Click to see | 220.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Copaene | 19725 | Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Curcumene | 92139 | Click to see | 202.33 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- | 89316 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| delta-Cadinene | 441005 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Elemene | 12309449 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| epi-alpha-Muurolol | 3084331 | Click to see | 222.37 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| gamma-Cadinene | 15094 | Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| gamma-Cadinene | 6432404 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| I2-Ionone | 638014 | Click to see | 192.30 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids | |||||
| (3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene | 5317160 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Eremophilene | 12309744 | Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
| 7-epi-alpha-Selinene | 10123 | Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| alpha-Selinene | 10856614 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Beta-Selinene | 442393 | Click to see | 204.35 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| (2S,3R,4R,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 11968932 | Click to see | 1457.60 | unknown | via CMAUP database |
| (2S,3R,4S,4aR,6aR,6bR,8aS,12aR,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | 163007781 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)CO)C(=O)O)C | 680.80 | unknown | https://doi.org/10.1016/S0040-4020(01)98155-4 |
| (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 101990870 | Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)CO)(CCC1C9(CC(C(C1(C)C(=O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC1=CC=C(C=C1)OC)O)O)O | 1573.70 | unknown | via CMAUP database |
| (2S,3R,4S,6aR,6bR,8aS,12aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 118701657 | Click to see | 1457.60 | unknown |
https://doi.org/10.1021/NP9605403 https://doi.org/10.1248/BPB.19.315 https://doi.org/10.1248/BPB.22.1249 https://doi.org/10.1055/S-2006-957935 https://doi.org/10.1016/0021-9673(93)80479-R https://doi.org/10.1248/CPB.43.2115 |
| (3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 101029447 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)CO)OC(=O)C=CC9=CC(=C(C=C9)OC)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1473.60 | unknown | via CMAUP database |
| (4S,6aR,6bR,8aS,12aR,14bR)-8a-[(2S,5R,6S)-3-[(2S,5R)-5-[(2S)-3,4-dihydroxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | 44202127 | Click to see | 1427.50 | unknown | via CMAUP database |
| E-senegasaponin b | 70697808 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC=C(C=C9)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1427.50 | unknown | via CMAUP database |
| Olean-12-ene-23,28-dioic acid, 3-(ss-D-glucopyranosyloxy)-2,27-dihydroxy-, (2ss,3ss,4a)- | 12443316 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)CO)C(=O)O)C | 680.80 | unknown | https://doi.org/10.1016/S0040-4020(01)98155-4 |
| Senegin II | 11953920 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC(=C(C=C9)OC)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1457.60 | unknown |
https://doi.org/10.1021/NP9605403 https://doi.org/10.1055/S-2006-957935 https://doi.org/10.1248/BPB.22.1249 https://doi.org/10.1016/0021-9673(93)80479-R https://doi.org/10.1248/CPB.43.2115 |
| Senegin III | 21669942 | Click to see | 1573.70 | unknown |
https://doi.org/10.1021/NP9605403 https://doi.org/10.1248/BPB.22.1249 https://doi.org/10.1016/0021-9673(93)80479-R https://doi.org/10.1248/CPB.43.2115 |
| Senegin IV | 71448934 | Click to see | 1719.80 | unknown |
https://doi.org/10.1021/NP9605403 https://doi.org/10.1016/0021-9673(93)80479-R https://doi.org/10.1248/CPB.43.2115 |
| Z-senegasaponin b | 70697802 | Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC=C(C=C9)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O | 1427.50 | unknown | https://doi.org/10.1248/BPB.22.1249 |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (3S,4S,5S)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one | 101355230 | Click to see | 536.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 12-hydroxysteroids | |||||
| 13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid | 200662 | Click to see | 537.10 | unknown | https://doi.org/10.1016/S0021-9258(18)74441-4 |
| 8a-ethoxycarbonyl-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4-carboxylic acid | 162895332 | Click to see | 516.70 | unknown | https://doi.org/10.1016/S0021-9258(18)74441-4 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 12-hydroxysteroids / 12-alpha-hydroxysteroids | |||||
| (2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-8a-ethoxycarbonyl-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4-carboxylic acid | 162895333 | Click to see | 516.70 | unknown | https://doi.org/10.1016/S0021-9258(18)74441-4 |
| Senegenin | 12442762 | Click to see | 537.10 | unknown | https://doi.org/10.1016/S0021-9258(18)74441-4 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (2R,3R,4S,5S,6R)-2-[[(3S,10S,13R)-17-[(E,5S)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 11968950 | Click to see | 574.80 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
| Amyl Acetate | 12348 | Click to see | 130.18 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Amyl propionate | 12217 | Click to see | 144.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Ethyl Acetate | 8857 | Click to see | 88.11 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Heptyl acetate | 8159 | Click to see CCCCCCCOC(=O)C | 158.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Hexyl acetate | 8908 | Click to see | 144.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids | |||||
| Isobutyric Acid | 6590 | Click to see | 88.11 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives | |||||
| Litseacubebic Acid | 76312534 | Click to see CC(=CC=CC(C)(C)O)C(=O)O | 170.21 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
| 1-Pentanol | 6276 | Click to see | 88.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols | |||||
| (2R)-2-(2-hydroxypropan-2-yl)-5-methyl-3,4-dihydro-2H-oxepin-7-one | 76319759 | Click to see | 184.23 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides | |||||
| [(2S,3S,4R,5R)-2-[(2R,3R,4R,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10374132 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC(=O)C)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O)O)OC7C(C(C(C(O7)CO)O)O)O | 1207.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 6326004 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6(C(C(C(O6)CO)O)OC(=O)C7=CC=CC=C7)COC(=O)C=CC8=CC=C(C=C8)O)CO)O | 1255.10 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 6326006 | Click to see | 1255.10 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 6325997 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)CO)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1327.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 163190014 | Click to see | 1285.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 11968936 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=C(C=C(C=C6)O)OC)CO)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)O | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10034247 | Click to see | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 11968933 | Click to see | 1327.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 6325999 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1369.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 6326007 | Click to see | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 6326005 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 163191788 | Click to see | 1327.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 11818844 | Click to see | 1297.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10351465 | Click to see | 1297.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162972894 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)OC)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1369.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10374233 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10260886 | Click to see | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10464150 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162972893 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)OC)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1369.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate | 10057265 | Click to see | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 11968935 | Click to see | 1207.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10351366 | Click to see | 1207.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 6326003 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OC(=O)C3=CC=CC=C3)COC(=O)C=CC4=C(C=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 10079963 | Click to see | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [2-[4-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162997949 | Click to see | 1285.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [2-[4-[6-(Acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162863653 | Click to see | 1327.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [2-[4-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 85099363 | Click to see | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [2-[6-(Acetyloxymethyl)-4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162987746 | Click to see | 1327.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [2-[6-(Acetyloxymethyl)-4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate | 73116156 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OC(=O)C3=CC=CC=C3)COC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC(=O)C=CC8=CC(=C(C=C8)O)OC | 1297.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [2-[6-(Acetyloxymethyl)-4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 85118893 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OC(=O)C3=CC=CC=C3)COC(=O)C=CC4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC(=O)C=CC8=CC=C(C=C8)O | 1297.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [2-[6-(Acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 85125566 | Click to see | 1207.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [2-[6-(Acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162972888 | Click to see | 1369.20 | unknown | https://doi.org/10.1248/CPB.41.1127 |
| [2-[6-(Acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate | 74029824 | Click to see | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [2-[6-(Acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 74029822 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC=C(C=C7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1339.20 | unknown | https://doi.org/10.1248/CPB.42.641 |
| [2-[6-(Acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 85118836 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)O | 1207.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| [2-[6-(Acetyloxymethyl)-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate | 162889634 | Click to see | 1165.10 | unknown | https://doi.org/10.1248/CPB.41.2125 |
| Senegose A | 44566678 | Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O | 1369.20 | unknown |
https://doi.org/10.1021/NP9605403 https://doi.org/10.1248/CPB.41.1127 https://doi.org/10.1248/BPB.22.1249 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes | |||||
| Pentanal | 8063 | Click to see | 86.13 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes | |||||
| Furfural | 7362 | Click to see C1=COC(=C1)C=O | 96.08 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Pyrrole-2-carboxaldehyde | 13854 | Click to see | 95.10 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| Decanal | 8175 | Click to see | 156.26 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Heptanal | 8130 | Click to see | 114.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Hexanal | 6184 | Click to see | 100.16 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Nonanal | 31289 | Click to see CCCCCCCCC=O | 142.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Octanal | 454 | Click to see | 128.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals | |||||
| 3-Methyl-2-butenal | 61020 | Click to see | 84.12 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
| Damascenone | 5366074 | Click to see CC=CC(=O)C1=C(C=CCC1(C)C)C | 190.28 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Non-3-en-2-one | 26630 | Click to see | 140.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Oct-3-en-2-one | 15475 | Click to see CCCCC=CC(=O)C | 126.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones | |||||
| 2-Acetylfuran | 14505 | Click to see | 110.11 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Furyl pentyl ketone | 61738 | Click to see | 166.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Pentanoylfuran | 231325 | Click to see | 152.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Acetylpyrazine | 30914 | Click to see | 122.12 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones | |||||
| 3-Methylcyclohexanone | 11567 | Click to see | 112.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones | |||||
| 2-Decanone | 12741 | Click to see | 156.26 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Heptanone | 8051 | Click to see | 114.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Nonanone | 13187 | Click to see | 142.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Octanone | 8093 | Click to see | 128.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Undecanone | 8163 | Click to see | 170.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 3-Nonanone | 61235 | Click to see CCCCCCC(=O)CC | 142.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 3-Octanone | 246728 | Click to see CCCCCC(=O)CC | 128.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 6-Methyl-5-hepten-2-one | 9862 | Click to see | 126.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| Acetophenone | 7410 | Click to see CC(=O)C1=CC=CC=C1 | 120.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Acetovanillone | 2214 | Click to see | 166.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Valerophenone | 66093 | Click to see | 162.23 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Benzodioxoles | |||||
| Safrole | 5144 | Click to see | 162.18 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Benzothiazoles | |||||
| Benzothiazole | 7222 | Click to see C1=CC=C2C(=C1)N=CS2 | 135.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Diazines / Pyrazines | |||||
| Pentylpyrazine | 80551 | Click to see CCCCCC1=NC=CN=C1 | 150.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Dihydrofurans | |||||
| 5-Methyl furfur-2-al | 53429614 | Click to see CC1=CCC(O1)(C)C=O | 126.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Heteroaromatic compounds | |||||
| 1-(2-Furanyl)-3-pentanone | 14561591 | Click to see | 152.19 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Octylfuran | 77845 | Click to see CCCCCCCCC1=CC=CO1 | 180.29 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| 2-Pentylfuran | 19602 | Click to see | 138.21 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Furfuryl alcohol | 7361 | Click to see C1=COC(=C1)CO | 98.10 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Indoles and derivatives / Indoles | |||||
| Indole | 798 | Click to see | 117.15 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides | |||||
| 4-butyl-3H-2-benzofuran-1-one | 141055776 | Click to see CCCCC1=C2COC(=O)C2=CC=C1 | 190.24 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines | |||||
| Magnocurarine | 53266 | Click to see C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)C | 314.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| (S)-4-Nonanolide | 441574 | Click to see CCCCCC1CCC(=O)O1 | 156.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| gamma-Caprolactone | 12756 | Click to see CCC1CCC(=O)O1 | 114.14 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Gamma-Decalactone | 12813 | Click to see | 170.25 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Gamma-Dodecalactone | 16821 | Click to see | 198.30 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| gamma-Heptalactone | 7742 | Click to see CCCC1CCC(=O)O1 | 128.17 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Gamma-nonalactone | 7710 | Click to see CCCCCC1CCC(=O)O1 | 156.22 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| gamma-Octalactone | 7704 | Click to see CCCCC1CCC(=O)O1 | 142.20 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Phenylpropanoids and polyketides / Cinnamaldehydes | |||||
| 3-Phenylprop-2-Enal | 307 | Click to see | 132.16 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Cinnamaldehyde | 637511 | Click to see | 132.16 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters | |||||
| Benzyl alcohol, cinnamate | 15558051 | Click to see | 238.28 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| Benzylcinnamate | 7652 | Click to see C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2 | 238.28 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
| > Phenylpropanoids and polyketides / Cinnamyl alcohols | |||||
| 3,4,5-Trimethoxycinnamyl alcohol | 6436306 | Click to see COC1=CC(=CC(=C1OC)OC)C=CCO | 224.25 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives | |||||
| Coumarin | 323 | Click to see | 146.14 | unknown | https://doi.org/10.1002/FFJ.2730100408 |
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