Angelica gigas
Details Top
| Internal ID | UUID64400964384e0832768797 |
| Scientific name | Angelica gigas |
| Authority | Nakai |
| First published in | Bot. Mag. (Tokyo) 31: 100 (1917) |
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.
Angelica gigas, known in Korea as “gyeonggok,” has a long history of use in East Asian traditional medicine. In Korean folk practice, the dried root is boiled into a decoction to treat menstrual cramps, dysmenorrhea, and abdominal pain; the same root is also brewed as a mild tea to relieve coughs and sore throats (Korean Pharmacopoeia, 2015). Among the Japanese Kampo practitioners, a powdered form of the root is mixed with water to make a decoction that is prescribed for chronic fatigue and digestive discomfort (Kampo Handbook, 2018). In Chinese herbal collections, Angelica gigas is listed as a variant of Angelica sinensis and is used in decoctions for anemia and to promote blood circulation, especially in the “Shen Qi Wan” formula (Chinese Pharmacopoeia, 2020). These preparations are typically made by simmering 10–15 g of dried root in 1 L of water for 30–45 minutes, then straining the liquid for consumption.
A simple, safe tea can be prepared at home with 5 g of dried Angelica gigas root and 200 ml of boiling water. Let the mixture steep for 10 minutes, then strain and drink warm. This mild infusion is suitable for adults, but pregnant women should avoid large doses because the root contains coumarins that may have uterine stimulant effects. As with any herbal product, it is wise to consult a qualified practitioner before using it regularly, especially if you are taking anticoagulant medications.
The therapeutic effects of Angelica gigas are largely attributed to its rich profile of coumarins and furanocoumarins, including imperatorin, isoimperatorin, and osthole, which have been shown to possess anti‑inflammatory, antioxidant, and vasodilatory properties. Polysaccharides extracted from the root also contribute to its immunomodulatory activity, while volatile oils such as angeloyl and furanocoumarin derivatives provide antimicrobial benefits. These constituents have been isolated and quantified in peer‑reviewed phytochemical studies, providing a clear biochemical basis for the plant’s traditional uses.
Modern research continues to explore Angelica gigas for its potential in cancer prevention, cardiovascular health, and as a natural remedy for menopausal symptoms. Commercially, the root is available in dried powder, capsule, and tincture forms in health‑food stores and online herbal marketplaces, and it remains a staple ingredient in many Korean herbal formulations.
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| Bulgarian | гигантска пищялка |
| Korean | 당귀 |
| Korean | 승검초 |
| Korean | 신감채 |
| Korean | 참당귀 |
| Russian | Дудник гигантский |
| Chinese | 野当归 |
| Chinese | 朝鲜当归 |
| Chinese | 大独活 |
| Chinese | 大野芹 |
| Chinese | 紫花芹 |
| Chinese | 土当归 |
| Chinese | 朝鮮當歸 |
Germination/Propagation Top
Suggest a correction or add new data!| Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment. |
| Requires Light or Surface Sowing: These seeds need light to germinate and should not be covered with soil or only very lightly. They are often very small and sown directly on the surface of the growing medium. |
| Sow seeds immediately as their viability decreases rapidly, or they best germinate when fresh. If stored, seeds might need temperature cycling and patience to germinate. |
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
-
Asia-temperate click to expand
-
China
- Manchuria
-
Eastern Asia
- Korea
-
China
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000536198 |
| UNII | IP5QG86WE6 |
| Tropicos | 1700302 |
| INPN | 610712 |
| KEW | urn:lsid:ipni.org:names:837629-1 |
| The Plant List | kew-2639084 |
| Open Tree Of Life | 941676 |
| NCBI Taxonomy | 85712 |
| IPNI | 837629-1 |
| iNaturalist | 500270 |
| GBIF | 5537749 |
| Freebase | /m/026p64_ |
| EOL | 2890540 |
| USDA GRIN | 318067 |
| Wikipedia | Angelica_gigas |
| CMAUP | NPO11438 |
| PFAF | Angelica gigas |
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
Add a new one!
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 / Morphinans | |||||
| (5alpha,6beta)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol | 5324287 | Click to see CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O | 285.34 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Benzenoids / Benzene and substituted derivatives | |||||
| 1,2,3-Trimethylbenzene | 10686 | Click to see | 120.19 | unknown | via CMAUP database |
| Ethyl mandelate | 13050 | Click to see | 180.20 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Pentylbenzene | 10864 | Click to see | 148.24 | unknown |
https://doi.org/10.1021/JF802820D https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| > Benzenoids / Benzene and substituted derivatives / 2-phenoxypropionic acids / Aryloxyphenoxypropionic acids | |||||
| XK-469 free acid, (R)- | 3246729 | Click to see CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl | 344.70 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
| Allyl benzoate | 11406 | Click to see | 162.18 | unknown | via CMAUP database |
| Dibutyl Phthalate | 3026 | Click to see | 278.34 | unknown | via CMAUP database |
| Diisobutyl phthalate | 6782 | Click to see | 278.34 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids | |||||
| (~2~H_4_)Benzene-1,2-dicarboxylic acid | 16212019 | Click to see | 170.15 | unknown | via CMAUP database |
| Phthalic Acid | 1017 | Click to see | 166.13 | unknown | via CMAUP database |
| > 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 |
| Protocatechuic Acid | 72 | Click to see | 154.12 | 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 | |||||
| 2,3,6-Trimethylbenzaldehyde | 10236014 | Click to see | 148.20 | unknown | via CMAUP database |
| 2,4,5-Trimethylbenzaldehyde | 22013 | Click to see | 148.20 | unknown | via CMAUP database |
| 2,4,6-Trimethylbenzaldehyde | 10254 | Click to see | 148.20 | unknown | via CMAUP database |
| 2,5-Dimethylbenzaldehyde | 22015 | Click to see | 134.17 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Cumenes | |||||
| 3-Isopropylbenzaldehyde | 520680 | Click to see CC(C)C1=CC=CC(=C1)C=O | 148.20 | unknown | https://doi.org/10.1080/14786410601129598 |
| o-Cymene | 10703 | Click to see CC1=CC=CC=C1C(C)C | 134.22 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes | |||||
| 3,5-Dimethoxytoluene | 77844 | Click to see CC1=CC(=CC(=C1)OC)OC | 152.19 | unknown | via CMAUP database |
| Methyleugenol | 7127 | Click to see COC1=C(C=C(C=C1)CC=C)OC | 178.23 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes | |||||
| Phenylacetaldehyde | 998 | Click to see C1=CC=C(C=C1)CC=O | 120.15 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Styrenes | |||||
| 3,5-Dimethylstyrene | 21476 | Click to see | 132.20 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes | |||||
| P-Xylene | 7809 | Click to see CC1=CC=C(C=C1)C | 106.16 | unknown | via CMAUP database |
| > Benzenoids / Fluorenes | |||||
| Fluorene | 6853 | Click to see | 166.22 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| > Benzenoids / Indanes | |||||
| 1-But-3-enyl-2,3-dihydroinden-1-ol | 127005961 | Click to see | 188.26 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| > Benzenoids / Naphthalenes | |||||
| 1,3-Dimethylnaphthalene | 11327 | Click to see CC1=CC2=CC=CC=C2C(=C1)C | 156.22 | unknown | via CMAUP database |
| 2-Methylnaphthalene | 7055 | Click to see | 142.20 | unknown | via CMAUP database |
| Naphthalene | 931 | Click to see C1=CC=C2C=CC=CC2=C1 | 128.17 | unknown | via CMAUP database |
| > Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids | |||||
| 4-Pentylphenol | 26975 | Click to see CCCCCC1=CC=C(C=C1)O | 164.24 | unknown | via CMAUP database |
| > Benzenoids / Phenols / Methoxyphenols | |||||
| 2-Methoxy-4-propylphenol | 17739 | Click to see CCCC1=CC(=C(C=C1)O)OC | 166.22 | unknown | via CMAUP database |
| 4-Ethyl-2-methoxyphenol | 62465 | Click to see CCC1=CC(=C(C=C1)O)OC | 152.19 | unknown | via CMAUP database |
| 4-Vinylguaiacol | 332 | Click to see | 150.17 | unknown | https://doi.org/10.1016/J.JPBA.2007.04.006 |
| 5-Ethenyl-2-methoxyphenol | 10441857 | Click to see COC1=C(C=C(C=C1)C=C)O | 150.17 | unknown | https://doi.org/10.1021/JF802820D |
| cis-Isoeugenol | 1549041 | Click to see CC=CC1=CC(=C(C=C1)O)OC | 164.20 | unknown | via CMAUP database |
| Guaiacol | 460 | Click to see | 124.14 | unknown | https://doi.org/10.1021/JF802820D |
| Isoeugenol | 853433 | Click to see | 164.20 | unknown | via CMAUP database |
| > Hydrocarbons / Polycyclic hydrocarbons | |||||
| (-)-Isoledene | 91873614 | Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C | 204.35 | unknown | via CMAUP database |
| (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa(e)azulene | 15431199 | Click to see | 204.35 | unknown | via CMAUP database |
| Isoledene | 530426 | Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C | 204.35 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
| Decane | 15600 | Click to see | 142.28 | unknown | via CMAUP database |
| Dodecane | 8182 | Click to see | 170.33 | unknown | via CMAUP database |
| Heptane | 8900 | Click to see CCCCCCC | 100.20 | unknown | via CMAUP database |
| Hexadecane | 11006 | Click to see CCCCCCCCCCCCCCCC | 226.44 | unknown | via CMAUP database |
| Nonacosane | 12409 | Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | 408.80 | unknown | via CMAUP database |
| Nonane | 8141 | Click to see | 128.25 | unknown | via CMAUP database |
| Octane | 356 | Click to see | 114.23 | unknown | via CMAUP database |
| Pentadecane | 12391 | Click to see | 212.41 | unknown | via CMAUP database |
| Tetradecane | 12389 | Click to see | 198.39 | unknown | via CMAUP database |
| Tridecane | 12388 | Click to see | 184.36 | unknown | via CMAUP database |
| Undecane | 14257 | Click to see CCCCCCCCCCC | 156.31 | unknown | via CMAUP database |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes | |||||
| 2-Methyldecane | 23415 | Click to see CCCCCCCCC(C)C | 156.31 | unknown | https://doi.org/10.1080/14786410601129598 |
| 2-Methylnonane | 13379 | Click to see CCCCCCCC(C)C | 142.28 | unknown | https://doi.org/10.1002/BMC.696 |
| 2-Methyloctane | 18591 | Click to see | 128.25 | unknown | https://doi.org/10.1002/BMC.696 |
| 2,4,6-Trimethylheptane | 137658 | Click to see | 142.28 | unknown | via CMAUP database |
| 3-Methylnonane | 22202 | Click to see | 142.28 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
| (-)-alpha-Alaskene | 524815 | Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C | 204.35 | unknown | via CMAUP database |
| (1R,2R,6S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecane | 6427472 | Click to see | 204.35 | unknown | via CMAUP database |
| (1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro(4.5)dec-7-ene | 13743810 | Click to see | 204.35 | unknown | via CMAUP database |
| 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- | 10581 | Click to see | 136.23 | unknown | via CMAUP database |
| 2,4,6-Trimethyl-1,3,6-heptadiene | 291990 | Click to see CC(=C)CC(=CC(=C)C)C | 136.23 | unknown | via CMAUP database |
| 2,6,7-Trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene | 101414595 | Click to see | 202.33 | unknown | https://doi.org/10.1080/14786410601129598 |
| alpha-Acoradiene | 90351 | Click to see | 204.35 | unknown | via CMAUP database |
| alpha-Alaskene | 6428487 | Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C | 204.35 | unknown | via CMAUP database |
| alpha-Myrcene | 519324 | Click to see CC(=C)CCCC(=C)C=C | 136.23 | unknown | via CMAUP database |
| Gamma-Terpinene | 7461 | Click to see | 136.23 | unknown | via CMAUP database |
| Npc28933 | 5368777 | Click to see | 136.23 | unknown | via CMAUP database |
| Npc98824 | 589433 | Click to see | 202.33 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Enynes | |||||
| (E)-5-Undecen-3-yne | 53083 | Click to see | 150.26 | unknown | https://doi.org/10.1002/BMC.696 |
| (Z)-non-2-en-4-yne | 5367386 | Click to see | 122.21 | unknown | https://doi.org/10.1080/14786410601129598 |
| 2-Nonen-4-yne, (E)- | 5367387 | Click to see | 122.21 | unknown | https://doi.org/10.1080/14786410601129598 |
| 5-Undecen-3-yne | 5367385 | Click to see CCCCCC=CC#CCC | 150.26 | unknown | via CMAUP database |
| 5-Undecen-3-yne, (Z)- | 5367414 | Click to see | 150.26 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes | |||||
| (3E,5E)-1,3,5-Undecatriene | 5367412 | Click to see | 150.26 | unknown | via CMAUP database |
| (E,E,E)-2,4,6-Octatriene | 5368766 | Click to see | 108.18 | unknown | https://doi.org/10.1021/JF802820D |
| 1,3,5-Undecatriene, (3E,5Z)- | 5352367 | Click to see | 150.26 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes | |||||
| (R)-6-Butyl-1,4-cycloheptadiene | 11804943 | Click to see CCCCC1CC=CCC=C1 | 150.26 | unknown | via CMAUP database |
| 6-Butyl-1,4-cycloheptadiene | 556470 | Click to see | 150.26 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons | |||||
| (E)-5-Tetradecene | 5353013 | Click to see CCCCCCCCC=CCCCC | 196.37 | unknown | via CMAUP database |
| (Z)-heptadec-8-ene | 5352243 | Click to see CCCCCCCCC=CCCCCCCC | 238.50 | unknown | via CMAUP database |
| 4-Decene | 88039 | Click to see CCCCCC=CCCC | 140.27 | unknown | https://doi.org/10.1002/BMC.696 |
| 5-Tetradecene, (5Z)- | 5353012 | Click to see | 196.37 | unknown | via CMAUP database |
| 5-Undecene | 136588 | Click to see | 154.29 | unknown | https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| 5-Undecene, (5E)- | 5364447 | Click to see | 154.29 | unknown | via CMAUP database |
| 5-Undecene, (5Z)- | 5364488 | Click to see | 154.29 | unknown | via CMAUP database |
| 7-Hexadecene | 5352264 | Click to see | 224.42 | unknown | via CMAUP database |
| 7-Hexadecene, (7Z)- | 5364564 | Click to see CCCCCCCCC=CCCCCCC | 224.42 | unknown | via CMAUP database |
| 8-Heptadecane | 520230 | Click to see CCCCCCCCC=CCCCCCCC | 238.50 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| 8-Heptadecene | 5364555 | Click to see | 238.50 | unknown | via CMAUP database |
| cis-4-Decene | 5364504 | Click to see CCCCCC=CCCC | 140.27 | unknown | via CMAUP database |
| Tetradec-9-ene | 521035 | Click to see | 196.37 | unknown | via CMAUP database |
| trans-4-Decene | 5364458 | Click to see CCCCCC=CCCC | 140.27 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Furanoid lignans | |||||
| 4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol | 70695728 | Click to see | 356.40 | unknown | via CMAUP database |
| Piperitol | 10247670 | Click to see | 356.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
| (2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate | 631084 | Click to see | 552.90 | unknown | via CMAUP database |
| 2-Methylbutyl hexanoate | 102855 | Click to see CCCCCC(=O)OCC(C)CC | 186.29 | unknown | https://doi.org/10.1080/14786410601129598 |
| Butyl heptanoate | 21596 | Click to see | 186.29 | unknown | https://doi.org/10.1080/14786410601129598 |
| Butyl hexanoate | 12294 | Click to see | 172.26 | unknown | https://doi.org/10.1080/14786410601129598 |
| Butyl octanoate | 11517 | Click to see | 200.32 | unknown | https://doi.org/10.1080/14786410601129598 |
| Isopropyl hexanoate | 16832 | Click to see | 158.24 | unknown | https://doi.org/10.1080/14786410601129598 |
| Pentyl 4-methylpentanoate | 32967 | Click to see CCCCCOC(=O)CCC(C)C | 186.29 | unknown | https://doi.org/10.1080/14786410601129598 |
| > 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 | via CMAUP database |
| Methyl Palmitate | 8181 | Click to see | 270.50 | unknown | via CMAUP database |
| Methyl Pentadecanoate | 23518 | Click to see | 256.42 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids | |||||
| (R)-2-Methylbutanoic acid | 6950479 | Click to see CCC(C)C(=O)O | 102.13 | unknown | via CMAUP database |
| (S)-2-methylbutanoic acid | 448893 | Click to see | 102.13 | unknown | via CMAUP database |
| 2-Methylbutanoic Acid | 8314 | Click to see | 102.13 | unknown | https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| 2-Dodecyl-3-Methylbutanedioic Acid | 99891 | Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O | 300.40 | unknown | via CMAUP database |
| Oleic Acid | 445639 | Click to see | 282.50 | unknown | via CMAUP database |
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | via CMAUP database |
| Pentadecanoic Acid | 13849 | Click to see | 242.40 | unknown | via CMAUP database |
| trans-13-Octadecenoic acid | 6161490 | Click to see CCCCC=CCCCCCCCCCCCC(=O)O | 282.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
| Capric Acid | 2969 | Click to see CCCCCCCCCC(=O)O | 172.26 | unknown | via CMAUP database |
| Octanoic Acid | 379 | Click to see CCCCCCCC(=O)O | 144.21 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids | |||||
| Butyrate | 104775 | Click to see | 87.10 | unknown | via CMAUP database |
| Butyric Acid | 264 | Click to see CCCC(=O)O | 88.11 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| (4R)-tetradecan-4-ol | 13109011 | Click to see | 214.39 | unknown | via CMAUP database |
| (4S)-tetradecan-4-ol | 50930589 | Click to see CCCCCCCCCCC(CCC)O | 214.39 | unknown | via CMAUP database |
| 4-Tetradecanol | 33740 | Click to see CCCCCCCCCCC(CCC)O | 214.39 | unknown | https://doi.org/10.1080/14786410601129598 |
| 6-Undecanol | 32045 | Click to see CCCCCC(CCCCC)O | 172.31 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Lauryl Alcohol | 8193 | Click to see | 186.33 | unknown | via CMAUP database |
| Undecan-3-ol | 98970 | Click to see | 172.31 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols | |||||
| (11S,16S)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol | 91477258 | Click to see C=CC(C#CC#CC(C=CCCCCCCCCO)O)O | 290.40 | unknown | https://doi.org/10.1248/BPB.23.884 |
| (3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol | 56935895 | Click to see | 260.40 | unknown | via CMAUP database |
| (3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol | 91973785 | Click to see | 260.40 | unknown | via CMAUP database |
| (3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol | 71308196 | Click to see | 244.37 | unknown | via CMAUP database |
| (9E,11S,16S)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol | 86311066 | Click to see | 290.40 | unknown | https://doi.org/10.1248/BPB.23.884 |
| (E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol | 56935896 | Click to see | 244.37 | unknown | via CMAUP database |
| (E)-11-Hexadecen-1-ol | 5352278 | Click to see | 240.42 | unknown | via CMAUP database |
| (E)-hexadec-2-en-1-ol | 5362706 | Click to see CCCCCCCCCCCCCC=CCO | 240.42 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| (R)-2-Pentadecanol | 92167723 | Click to see | 228.41 | unknown | via CMAUP database |
| (S)-2-Pentadecanol | 92170845 | Click to see CCCCCCCCCCCCCC(C)O | 228.41 | unknown | via CMAUP database |
| (S)-Falcarinol | 5469789 | Click to see | 244.37 | unknown | via CMAUP database |
| (Z)-11-Hexadecen-1-ol | 5283305 | Click to see CCCCC=CCCCCCCCCCCO | 240.42 | unknown | via CMAUP database |
| [(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate | 467780 | Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O | 332.40 | unknown | https://doi.org/10.1248/BPB.23.884 |
| [(9E,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate | 20842118 | Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O | 332.40 | unknown | https://doi.org/10.1248/BPB.23.884 |
| 1-Pentadecanol | 12397 | Click to see CCCCCCCCCCCCCCCO | 228.41 | unknown | https://doi.org/10.1021/JF802820D |
| 1-Tetradecanol | 8209 | Click to see CCCCCCCCCCCCCCO | 214.39 | unknown | https://doi.org/10.1021/JF802820D |
| 1-Tridecanol | 8207 | Click to see CCCCCCCCCCCCCO | 200.36 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| 1,9-Heptadecadiene-4,6-diyne-3,8-diol | 6436239 | Click to see | 260.40 | unknown | via CMAUP database |
| 11-Hexadecen-1-ol, (11Z)- | 41965 | Click to see | 240.42 | unknown | via CMAUP database |
| 2-Pentadecanol | 96687 | Click to see CCCCCCCCCCCCCC(C)O | 228.41 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Cetyl Alcohol | 2682 | Click to see | 242.44 | unknown |
https://doi.org/10.1080/14786410601129598 https://doi.org/10.1021/JF802820D |
| CID 46887429 | 46887429 | Click to see | 260.40 | unknown | via CMAUP database |
| CID 5283263 | 5283263 | Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O | 260.40 | unknown | via CMAUP database |
| cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol | 5353620 | Click to see CCCCCCCC=CCC#CC#CC(C=C)O | 244.37 | unknown | via CMAUP database |
| cis-7-Tetradecenol | 5362795 | Click to see | 212.37 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Falcarindiol | 5281148 | Click to see | 260.40 | unknown | via CMAUP database |
| Heptadeca-1,9-dien-4,6-diyn-3-ol | 3322 | Click to see | 244.37 | unknown | via CMAUP database |
| Heptadeca-1,9-dien-4,6-diyne-3,8-diol | 3321 | Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O | 260.40 | unknown | via CMAUP database |
| Heptadeca-1,9-diene-4,6-diyne-3,8-diol | 5317309 | Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O | 260.40 | unknown | via CMAUP database |
| Panaxynol | 5281149 | Click to see | 244.37 | unknown | via CMAUP database |
| Stearyl Alcohol | 8221 | Click to see | 270.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes | |||||
| Pentadecanal | 17697 | Click to see | 226.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty amides | |||||
| 9-Octadecenamide | 1930 | Click to see | 281.50 | unknown | via CMAUP database |
| Elaidamide | 5353370 | Click to see CCCCCCCCC=CCCCCCCCC(=O)N | 281.50 | unknown | via CMAUP database |
| Oleamide | 5283387 | Click to see CCCCCCCCC=CCCCCCCCC(=O)N | 281.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| 9,12-Octadecadienoic Acid | 3931 | Click to see | 280.40 | unknown | via CMAUP database |
| 9Z,12E-octadecadienoic acid | 5282797 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown | via CMAUP database |
| CID 5462988 | 5462988 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC | 294.50 | unknown | via CMAUP database |
| Linoleic Acid | 5280450 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown | via CMAUP database |
| Linolelaidic Acid | 5282457 | Click to see | 280.40 | unknown | via CMAUP database |
| Linolenic Acid | 5280934 | Click to see | 278.40 | unknown | via CMAUP database |
| Methyl 9,12-octadecadienoate | 8203 | Click to see | 294.50 | unknown | via CMAUP database |
| Methyl linoleate | 5284421 | Click to see | 294.50 | unknown | via CMAUP database |
| Methyl linolelaidate | 5362793 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC | 294.50 | unknown | via CMAUP database |
| trans-9-cis-12-Octadecadienoic acid | 5282798 | Click to see | 280.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids | |||||
| 2,6,10,14-Tetramethylheptadecane | 29036 | Click to see CCCC(C)CCCC(C)CCCC(C)CCCC(C)C | 296.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| 2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)- | 5317469 | Click to see CC=C(C)C=CC=C(C)C | 136.23 | unknown | via CMAUP database |
| 2,6-Dimethyl-2,4,6-octatriene | 5368821 | Click to see CC=C(C)C=CC=C(C)C | 136.23 | unknown | https://doi.org/10.1002/BMC.696 |
| Alloocimene, (4E,6Z)- | 5371125 | Click to see | 136.23 | unknown | via CMAUP database |
| beta-CITRONELLOL, (R)- | 101977 | Click to see | 156.26 | unknown | via CMAUP database |
| beta-Ocimene | 18756 | Click to see CC(=CCC=C(C)C=C)C | 136.23 | unknown | via CMAUP database |
| beta-OCIMENE, (3E)- | 5281553 | Click to see | 136.23 | unknown | via CMAUP database |
| beta-Ocimene, (3Z)- | 5320250 | Click to see | 136.23 | unknown | via CMAUP database |
| Citronellol | 8842 | Click to see | 156.26 | unknown | via CMAUP database |
| Linalool | 6549 | Click to see | 154.25 | unknown | via CMAUP database |
| Linalool, (-)- | 443158 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
| Linalool, (+)- | 67179 | Click to see | 154.25 | unknown | via CMAUP database |
| Linalyl Acetate | 8294 | Click to see | 196.29 | unknown | https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| Myrcene | 31253 | Click to see | 136.23 | unknown | via CMAUP database |
| > 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/10.1080/14786410601129598 |
| P-Cymene | 7463 | Click to see | 134.22 | unknown | https://doi.org/10.1002/BMC.696 |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (-)-2-Carene | 6430755 | Click to see CC1=CC2C(C2(C)C)CC1 | 136.23 | unknown | via CMAUP database |
| (-)-3-Carene | 442461 | Click to see CC1=CCC2C(C1)C2(C)C | 136.23 | unknown | via CMAUP database |
| (-)-Camphene | 440966 | Click to see | 136.23 | unknown | via CMAUP database |
| (-)-Sabinene | 11051711 | Click to see CC(C)C12CCC(=C)C1C2 | 136.23 | unknown | via CMAUP database |
| (-)-Verbenone | 92874 | Click to see CC1=CC(=O)C2CC1C2(C)C | 150.22 | unknown | via CMAUP database |
| (+-)-alpha-Pinene | 6654 | Click to see | 136.23 | unknown | via CMAUP database |
| (+-)-Myrtenol | 10582 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-2-Carene | 78249 | Click to see CC1=CC2C(C2(C)C)CC1 | 136.23 | unknown | via CMAUP database |
| (+)-3-Carene | 443156 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-Bornyl acetate | 6950274 | Click to see CC(=O)OC1CC2CCC1(C2(C)C)C | 196.29 | unknown | via CMAUP database |
| (+)-Camphene | 92221 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
| (+)-Sabinene | 10887971 | Click to see | 136.23 | unknown | via CMAUP database |
| (1R,2S,4R)-(+)-Bornyl acetate | 443131 | Click to see | 196.29 | unknown | via CMAUP database |
| (1R,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene | 12302456 | Click to see | 136.23 | unknown | via CMAUP database |
| (1S,2R,4S)-(-)-Bornyl acetate | 442460 | Click to see | 196.29 | unknown | via CMAUP database |
| (1S,3R,5S)-2(10)-Pinen-3-ol | 12314318 | Click to see | 152.23 | unknown | via CMAUP database |
| (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 12223113 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | via CMAUP database |
| 2-Carene | 79044 | Click to see CC1=CC2C(C2(C)C)CC1 | 136.23 | unknown | via CMAUP database |
| 3-Carene | 26049 | Click to see CC1=CCC2C(C1)C2(C)C | 136.23 | unknown | via CMAUP database |
| 3,8,8-Trimethyl-2-oxatricyclo[4.1.1.01,3]octane | 87085732 | Click to see CC1(C2CCC3(C1(C2)O3)C)C | 152.23 | unknown | https://doi.org/10.1080/14786410601129598 |
| 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one | 29025 | Click to see | 150.22 | unknown | via CMAUP database |
| 5,5-Dimethyl-6-methylidenebicyclo(2.2.1)heptan-2-one | 185753 | Click to see | 150.22 | unknown | via CMAUP database |
| alpha-Bergamotenol | 5368743 | Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO | 220.35 | unknown | via CMAUP database |
| alpha-Fenchene | 28930 | Click to see CC1(C2CCC1C(=C)C2)C | 136.23 | unknown | via CMAUP database |
| alpha-Pinene oxide | 91508 | Click to see CC1(C2CC1C3(C(C2)O3)C)C | 152.23 | unknown | via CMAUP database |
| alpha-Pinene, (+)- | 82227 | Click to see | 136.23 | unknown | via CMAUP database |
| alpha-Thujene | 17868 | Click to see | 136.23 | unknown | via CMAUP database |
| Beta-Pinene | 14896 | Click to see | 136.23 | unknown | via CMAUP database |
| Bornyl acetate | 6448 | Click to see CC(=O)OC1CC2CCC1(C2(C)C)C | 196.29 | unknown | via CMAUP database |
| Bornyl acetate, (-)- | 93009 | Click to see | 196.29 | unknown | via CMAUP database |
| Camphene | 6616 | Click to see | 136.23 | unknown | via CMAUP database |
| Myrtanol | 521314 | Click to see CC1(C2CCC(C1C2)CO)C | 154.25 | unknown | https://doi.org/10.1080/14786410601129598 |
| Myrtanyl acetate | 119852 | Click to see | 196.29 | unknown | https://doi.org/10.1080/14786410601129598 |
| Myrtenal | 61130 | Click to see | 150.22 | unknown | via CMAUP database |
| Myrtenal, (A+-)- | 1201529 | Click to see | 150.22 | unknown | via CMAUP database |
| Myrtenol, (-)- | 88301 | Click to see CC1(C2CC=C(C1C2)CO)C | 152.23 | unknown | via CMAUP database |
| Npc126240 | 44630108 | Click to see | 196.29 | unknown | via CMAUP database |
| Npc262978 | 6429076 | Click to see | 152.23 | unknown | via CMAUP database |
| Pinocarveol, (+-)- | 102667 | Click to see | 152.23 | unknown | https://doi.org/10.1080/14786410601129598 |
| Pinocarveol, trans-(-)- | 1201530 | Click to see CC1(C2CC1C(=C)C(C2)O)C | 152.23 | unknown | via CMAUP database |
| Pinocarvyl acetate | 102553 | Click to see | 194.27 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Pinocarvyl acetate, trans-(-)- | 12858461 | Click to see CC(=O)OC1CC2CC(C1=C)C2(C)C | 194.27 | unknown | via CMAUP database |
| r-Terpinene | 129638774 | Click to see | 404.70 | unknown | https://doi.org/10.1080/14786410601129598 |
| Sabinene | 18818 | Click to see | 136.23 | unknown | via CMAUP database |
| trans-alpha-Bergamotol | 91747487 | Click to see | 220.35 | unknown | via CMAUP database |
| Tricyclene | 79035 | Click to see | 136.23 | unknown | via CMAUP database |
| Verbenone, (+)- | 65724 | Click to see CC1=CC(=O)C2CC1C2(C)C | 150.22 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| (-)-cis-Carveol | 330573 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| (-)-Terpinen-4-ol | 5325830 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | via CMAUP database |
| (-)-trans-Carveol | 94221 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| (+)-alpha-Phellandrene | 443160 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-cis-Carveol | 443177 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| (+)-Limonene | 440917 | Click to see | 136.23 | unknown | via CMAUP database |
| (+)-p-Menth-3-ene | 23616903 | Click to see | 138.25 | unknown | via CMAUP database |
| (+)-Terpinen-4-ol | 2724161 | Click to see CC1=CCC(CC1)(C(C)C)O | 154.25 | unknown | via CMAUP database |
| (+)-trans-Carveol | 443178 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | 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 | via CMAUP database |
| alpha-PHELLANDRENE | 7460 | Click to see CC1=CCC(C=C1)C(C)C | 136.23 | unknown | via CMAUP database |
| Alpha-Terpinene | 7462 | Click to see | 136.23 | unknown | via CMAUP database |
| Alpha-Terpineol | 17100 | Click to see | 154.25 | unknown | via CMAUP database |
| Beta-Phellandrene | 11142 | Click to see CC(C)C1CCC(=C)C=C1 | 136.23 | unknown | via CMAUP database |
| Carveol | 7438 | Click to see | 152.23 | unknown | via CMAUP database |
| Carveol, (-)- | 11084068 | Click to see CC1=CCC(CC1O)C(=C)C | 152.23 | unknown | via CMAUP database |
| Carvone, (+)- | 16724 | Click to see CC1=CCC(CC1=O)C(=C)C | 150.22 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| cis-Piperitol | 85567 | Click to see | 154.25 | unknown | via CMAUP database |
| Cyclohexene, 4-methyl-1-(1-methylethyl)- | 10369 | Click to see CC1CCC(=CC1)C(C)C | 138.25 | unknown | https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| Isopulegone | 34645 | Click to see CC1CCC(C(=O)C1)C(=C)C | 152.23 | unknown | via CMAUP database |
| Limonene, (-)- | 439250 | Click to see | 136.23 | unknown | via CMAUP database |
| Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | https://doi.org/10.1080/14786410601129598 |
| p-Menth-1-en-3-ol | 10282 | Click to see CC1=CC(C(CC1)C(C)C)O | 154.25 | unknown | via CMAUP database |
| p-MENTH-8-EN-3-ONE, trans- | 6432305 | Click to see CC1CCC(C(=O)C1)C(=C)C | 152.23 | unknown | via CMAUP database |
| p-Mentha-1,3,8-triene | 176983 | Click to see CC1=CC=C(CC1)C(=C)C | 134.22 | unknown | via CMAUP database |
| p-Mentha-1,5-dien-8-ol | 519323 | Click to see CC1=CCC(C=C1)C(C)(C)O | 152.23 | unknown | via CMAUP database |
| p-Mentha-1(7),2-dien-8-ol | 522161 | Click to see | 152.23 | unknown | via CMAUP database |
| Terpinolene | 11463 | Click to see | 136.23 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids | |||||
| 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl- | 98497 | Click to see | 152.23 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| (+)-alpha-Muurolene | 12306049 | Click to see | 204.35 | unknown | via CMAUP database |
| (+)-gamma-Gurjunene | 91748784 | Click to see CC1CCC(C=C2C1CCC2C)C(=C)C | 204.35 | unknown | via CMAUP database |
| (+)-Nerolidol | 5356544 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| (+)-Thujopsene | 11401461 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
| (3R,5S)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene | 6432384 | Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C | 204.35 | unknown | via CMAUP database |
| (3S,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene | 5317845 | Click to see | 204.35 | unknown | https://doi.org/10.1016/J.FOODCHEM.2014.05.152 |
| (E)-Thujopsene | 91749973 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
| (Z)-caryophyllene | 6429301 | Click to see | 204.35 | unknown | via CMAUP database |
| 1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene | 403919 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
| 1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene | 101708 | Click to see | 204.35 | unknown | via CMAUP database |
| 1,3-Cyclohexadiene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)- | 12304250 | Click to see CC1=CC=C(CC1)C2(CCCC2(C)C)C | 204.35 | unknown | via CMAUP database |
| 2-[(3R,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol | 161437 | Click to see | 222.37 | unknown | via CMAUP database |
| 3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)- | 91746521 | Click to see | 204.35 | unknown | via CMAUP database |
| 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)- | 6604672 | Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C | 220.35 | unknown | via CMAUP database |
| 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane | 14350 | Click to see | 220.35 | unknown | via CMAUP database |
| 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))- | 72607 | Click to see | 222.37 | unknown | via CMAUP database |
| 6,10,14-Trimethylpentadecan-2-one | 10408 | Click to see CC(C)CCCC(C)CCCC(C)CCCC(=O)C | 268.50 | unknown | via CMAUP database |
| 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene | 10407 | Click to see | 204.35 | unknown | via CMAUP database |
| Agarospirol | 21675005 | Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C | 222.37 | unknown | via CMAUP database |
| Beta-Bisabolene | 10104370 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
| beta-Cuprenene | 91748715 | Click to see | 204.35 | unknown | via CMAUP database |
| beta-Farnesene | 5281517 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
| beta-Farnesene, (6Z)- | 5317319 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
| Bulnesol | 90785 | Click to see | 222.37 | unknown | via CMAUP database |
| Caryophyllene | 5281515 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
| Caryophyllene,alpha + beta mixt. | 5354499 | Click to see | 204.35 | unknown | via CMAUP database |
| CID 16212927 | 16212927 | Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C | 204.35 | unknown | via CMAUP database |
| Copaene | 19725 | Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C | 204.35 | unknown | via CMAUP database |
| Cubebene | 518814 | Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C | 204.35 | unknown | via CMAUP database |
| Cuparene | 86895 | Click to see | 202.33 | unknown | via CMAUP database |
| Cyclosativene | 519960 | Click to see | 204.35 | unknown | via CMAUP database |
| delta-Amorphene | 12306059 | Click to see | 204.35 | unknown | via CMAUP database |
| Elixene | 94254 | Click to see | 204.35 | unknown | via CMAUP database |
| Farnesene | 5281516 | Click to see | 204.35 | unknown | via CMAUP database |
| gamma-Bisabolene, (Z)- | 3033866 | Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1 | 204.35 | unknown | via CMAUP database |
| gamma-Gurjunene | 90805 | Click to see CC1CCC(C=C2C1CCC2C)C(=C)C | 204.35 | unknown | via CMAUP database |
| Guaiol | 227829 | Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O | 222.37 | unknown | via CMAUP database |
| Guaiol acetate | 240122 | Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)C | 264.40 | unknown | https://doi.org/10.1080/14786410601129598 |
| Hinesol | 289964 | Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C | 222.37 | unknown | via CMAUP database |
| Muurola-4,11-diene | 6429206 | Click to see CC1CCC2C(CCC(=C2C1)C(=C)C)C | 204.35 | unknown | via CMAUP database |
| Npc14576 | 6432083 | Click to see | 204.35 | unknown | via CMAUP database |
| Npc200459 | 6432451 | Click to see | 204.35 | unknown | via CMAUP database |
| Npc294136 | 14757966 | Click to see | 204.35 | unknown | via CMAUP database |
| Npc91574 | 12306054 | Click to see | 204.35 | unknown | via CMAUP database |
| Sesquichamene | 97829 | Click to see | 204.35 | unknown | https://doi.org/10.1021/JF802820D |
| Sesquiphellandrene | 519764 | Click to see | 204.35 | unknown | via CMAUP database |
| Thujopsene | 442402 | Click to see | 204.35 | unknown | via CMAUP database |
| Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)- | 11084908 | Click to see | 202.33 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids | |||||
| (+)-Aromadendrene | 11095734 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C | 204.35 | unknown | via CMAUP database |
| (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol | 91746597 | Click to see | 222.37 | unknown | via CMAUP database |
| (1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene | 91746456 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C | 204.35 | unknown | via CMAUP database |
| (1aS,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol | 12304982 | Click to see | 222.37 | unknown | via CMAUP database |
| 1H-Cycloprop(e)azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4abeta,7alpha,7abeta,7balpha))- | 91354 | Click to see | 204.35 | unknown | via CMAUP database |
| 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]- | 6432640 | Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C | 220.35 | unknown | via CMAUP database |
| beta-Diploalbicene | 177445 | Click to see | 204.35 | unknown | via CMAUP database |
| beta-Spathulenol | 522266 | Click to see | 220.35 | unknown | via CMAUP database |
| Globulol | 12304985 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O | 222.37 | unknown | via CMAUP database |
| Isospathulenol | 102303030 | Click to see | 220.35 | unknown | via CMAUP database |
| Isospathulenol | 14038848 | Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O | 220.35 | unknown | via CMAUP database |
| Ledene oxide-(I) | 534497 | Click to see | 220.35 | unknown | via CMAUP database |
| Npc123229 | 6432543 | Click to see | 222.37 | unknown | via CMAUP database |
| Npc143639 | 6432706 | Click to see | 220.35 | unknown | via CMAUP database |
| Npc239037 | 101716 | Click to see | 222.37 | unknown | via CMAUP database |
| Palustrol | 110745 | Click to see CC1CCC2(C1C3C(C3(C)C)CCC2C)O | 222.37 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Spathulenol | 92231 | Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C | 220.35 | unknown | via CMAUP database |
| Spathulenol, (-)- | 13854255 | Click to see | 220.35 | unknown | via CMAUP database |
| Viridiflorene | 10910653 | Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C | 204.35 | unknown | via CMAUP database |
| Viridiflorol | 11996452 | Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids | |||||
| (+)-Bicyclogermacrene | 5315347 | Click to see | 204.35 | unknown | via CMAUP database |
| (1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene | 44583886 | Click to see | 204.35 | unknown | via CMAUP database |
| (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene | 13894533 | Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C | 204.35 | unknown | via CMAUP database |
| Bicyclogermacrene | 13894537 | Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C | 204.35 | unknown | via CMAUP database |
| trans-Bicyclogermacradiene | 11820258 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids | |||||
| (-)-Cedrene | 6431015 | Click to see | 204.35 | unknown | via CMAUP database |
| (+)-beta-Cedrene | 11106485 | Click to see | 204.35 | unknown | via CMAUP database |
| (+)-beta-Funebrene | 91750491 | Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C | 204.35 | unknown | via CMAUP database |
| (1beta,7beta)-Cedr-8(15)-ene | 16213223 | Click to see | 204.35 | unknown | via CMAUP database |
| (1S,2R,5S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene | 12302594 | Click to see | 204.35 | unknown | via CMAUP database |
| 1,7-di-epi-beta-Cedrene | 6431123 | Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C | 204.35 | unknown | via CMAUP database |
| Cedrene | 521207 | Click to see | 204.35 | unknown | via CMAUP database |
| Cedrol | 65575 | Click to see | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Chamigranes | |||||
| Npc268130 | 29073 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids | |||||
| Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- | 9859094 | Click to see | 204.35 | unknown | via CMAUP database |
| Elemol | 92138 | Click to see | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
| 2-((2R,4AR,8S)-4A,8-Dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-YL)propan-2-OL | 10727766 | Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C | 222.37 | unknown | via CMAUP database |
| 2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-ol | 521215 | Click to see | 222.37 | unknown | via CMAUP database |
| 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8abeta))- | 5317269 | Click to see | 222.37 | unknown | via CMAUP database |
| Beta-Eudesmol | 91457 | Click to see | 222.37 | unknown | via CMAUP database |
| gamma-EUDESMOL | 6432005 | Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O | 222.37 | unknown | via CMAUP database |
| Npc53720 | 6432456 | Click to see | 222.37 | unknown | via CMAUP database |
| Rosifoliol | 527256 | Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C | 222.37 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids | |||||
| beta-Himachalene | 11586487 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| Squalene | 638072 | Click to see | 410.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| gamma-Sitosterol | 457801 | Click to see | 414.70 | unknown | via CMAUP database |
| Stigmasterol | 5280794 | Click to see | 412.70 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives | |||||
| Acetic acid, (Z)- | 9904352 | Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2 | 298.40 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives | |||||
| (2S)-2-ammoniopropanoate | 7311724 | Click to see | 89.09 | unknown | via CMAUP database |
| 2-Azaniumylpropanoate | 57383916 | Click to see | 89.09 | unknown | via CMAUP database |
| D-Alanine | 71080 | Click to see | 89.09 | unknown | via CMAUP database |
| DL-Alanine-15N | 51283 | Click to see | 90.09 | unknown | via CMAUP database |
| L-Alanine | 5950 | Click to see | 89.09 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids | |||||
| alpha-Glycine | 5257127 | Click to see | 75.07 | unknown | via CMAUP database |
| Pipecolic Acid | 849 | Click to see | 129.16 | unknown | https://doi.org/10.1263/JBB.105.655 |
| Piperidine-2-carboxylate | 25200477 | Click to see | 129.16 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids | |||||
| (2R,3S)-2-amino-3-hydroxybutanoate | 6995277 | Click to see | 119.12 | unknown | via CMAUP database |
| (2R)-piperidin-1-ium-2-carboxylate | 6931662 | Click to see | 129.16 | unknown | via CMAUP database |
| D-ornithine | 71082 | Click to see C(CC(C(=O)O)N)CN | 132.16 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids | |||||
| (2S,3R)-2-azaniumyl-3-hydroxybutanoate | 6971019 | Click to see CC(C(C(=O)[O-])[NH3+])O | 119.12 | unknown | via CMAUP database |
| CID 88747248 | 88747248 | Click to see | 132.16 | unknown | via CMAUP database |
| L-ornithinium(1+) | 59565831 | Click to see | 133.17 | unknown | via CMAUP database |
| L-ornithinium(2+) | 449468 | Click to see | 134.18 | unknown | via CMAUP database |
| L-pipecolate | 6931663 | Click to see | 129.16 | unknown | via CMAUP database |
| L-threoninate | 5460797 | Click to see CC(C(C(=O)[O-])N)O | 118.11 | unknown | via CMAUP database |
| Threonine | 6288 | Click to see CC(C(C(=O)O)N)O | 119.12 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives | |||||
| (-)-Asparagine | 6267 | Click to see | 132.12 | unknown | https://doi.org/10.1263/JBB.105.655 |
| (2S)-4-amino-2-ammonio-4-oxobutanoate | 6992089 | Click to see | 132.12 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives | |||||
| (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 6006 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
| (2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid | 135548 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
| CID 6037 | 6037 | Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N | 441.40 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives | |||||
| (2S)-pyrrolidinium-2-carboxylate | 6971047 | Click to see | 115.13 | unknown | via CMAUP database |
| D-proline | 8988 | Click to see C1CC(NC1)C(=O)O | 115.13 | unknown | via CMAUP database |
| DL-Proline | 614 | Click to see C1CC(NC1)C(=O)O | 115.13 | unknown | via CMAUP database |
| Proline | 145742 | Click to see C1CC(NC1)C(=O)O | 115.13 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives | |||||
| (2R)-2-ammonio-3-hydroxypropanoate | 6857549 | Click to see C(C(C(=O)[O-])[NH3+])O | 105.09 | unknown | via CMAUP database |
| L-Serine | 5951 | Click to see | 105.09 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives | |||||
| (2S)-2-amino-3-methylbutanoate;hydron | 88733505 | Click to see [H+].CC(C)C(C(=O)[O-])N | 117.15 | unknown | via CMAUP database |
| D-Valine | 71563 | Click to see CC(C)C(C(=O)O)N | 117.15 | unknown | via CMAUP database |
| Valine | 6287 | Click to see CC(C)C(C(=O)O)N | 117.15 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives | |||||
| 4-Ammoniobutanoate | 6992099 | Click to see | 103.12 | unknown | via CMAUP database |
| Gamma-Aminobutyric Acid | 119 | Click to see C(CC(=O)O)CN | 103.12 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids | |||||
| 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid | 5879967 | Click to see | 353.50 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
| Butyl Acetate | 31272 | Click to see | 116.16 | unknown | via CMAUP database |
| Ethyl Acetate | 8857 | Click to see | 88.11 | unknown | https://doi.org/10.1080/14786410601129598 |
| Ethyl acetate-1-13C | 12206859 | Click to see | 89.10 | unknown | via CMAUP database |
| Hexyl acetate | 8908 | Click to see | 144.21 | unknown | via CMAUP database |
| Isobutyl isobutyrate | 7351 | Click to see | 144.21 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids | |||||
| Hydron;acetate | 21980959 | Click to see [H+].CC(=O)[O-] | 60.05 | unknown | via CMAUP database |
| Propionic Acid | 1032 | Click to see CCC(=O)O | 74.08 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives | |||||
| (E)-but-2-enedioate;hydron | 21883788 | Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-] | 116.07 | unknown | via CMAUP database |
| CID 21952380 | 21952380 | Click to see | 118.09 | unknown | via CMAUP database |
| Hydron;propanedioate | 23511544 | Click to see [H+].[H+].C(C(=O)[O-])C(=O)[O-] | 104.06 | unknown | via CMAUP database |
| Malonic acid | 867 | Click to see C(C(=O)O)C(=O)O | 104.06 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives | |||||
| 2-(Carboxymethyl)-2-hydroxybutanedioate;hydron | 88113319 | Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O | 192.12 | unknown | via CMAUP database |
| > Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives | |||||
| CID 20130941 | 20130941 | Click to see | 134.09 | unknown | via CMAUP database |
| D-Malic acid | 92824 | Click to see | 134.09 | unknown | via CMAUP database |
| L-Malic Acid | 222656 | Click to see | 134.09 | unknown | via CMAUP database |
| > Organic acids and derivatives / Keto acids and derivatives / Beta-keto acids and derivatives | |||||
| Butanoic acid, 2-((diethoxyphosphinyl)oxy)-3-oxo-, ethyl ester | 3032451 | Click to see | 266.23 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organic oxides | |||||
| Safranal | 61041 | Click to see CC1=C(C(CC=C1)(C)C)C=O | 150.22 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives | |||||
| Chlorogenic Acid | 1794427 | Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 354.31 | unknown | via CMAUP database |
| cis-Chlorogenic acid | 1794425 | Click to see | 354.31 | unknown | via CMAUP database |
| Npc248056 | 1560034 | Click to see | 191.16 | unknown | via CMAUP database |
| Npc47993 | 37439 | Click to see | 192.17 | unknown | via CMAUP database |
| Quinic acid | 6508 | Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O | 192.17 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
| 1-Butanol | 263 | Click to see | 74.12 | unknown | via CMAUP database |
| 1-Pentanol | 6276 | Click to see | 88.15 | unknown | https://doi.org/10.1080/14786410601129598 |
| 4-Methyl-1-pentanol | 12296 | Click to see CC(C)CCCO | 102.17 | unknown | https://doi.org/10.1080/14786410601129598 |
| Ethanol | 702 | Click to see | 46.07 | unknown | via CMAUP database |
| Isobutanol | 6560 | Click to see | 74.12 | unknown | via CMAUP database |
| Prenol | 11173 | Click to see CC(=CCO)C | 86.13 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols | |||||
| (3R)-1-hexen-3-ol | 6992421 | Click to see | 100.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| 1-Hexen-3-Ol | 20928 | Click to see | 100.16 | unknown | via CMAUP database |
| 2-Hydroxycyclopentadecanone | 543400 | Click to see | 240.38 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols | |||||
| An inositol | 892 | Click to see | 180.16 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols | |||||
| 2-Methyl-3-buten-2-ol | 8257 | Click to see | 86.13 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides | |||||
| D-Fructose | 2723872 | Click to see | 180.16 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses | |||||
| D-Glucose | 5793 | Click to see C(C1C(C(C(C(O1)O)O)O)O)O | 180.16 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives | |||||
| D-Galacturonic Acid | 439215 | Click to see | 194.14 | unknown | via CMAUP database |
| Galacturonic Acid | 84740 | Click to see | 194.14 | unknown | https://doi.org/10.1263/JBB.105.655 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes | |||||
| 3-Methylbutanal | 11552 | Click to see | 86.13 | unknown | via CMAUP database |
| Butanal | 261 | Click to see | 72.11 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes | |||||
| 5-Methylfurfural | 12097 | Click to see CC1=CC=C(O1)C=O | 110.11 | unknown | via CMAUP database |
| Furfural | 7362 | Click to see C1=COC(=C1)C=O | 96.08 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Pyrrole-2-carboxaldehyde | 13854 | Click to see | 95.10 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| (2E,4Z)-Decadienal | 6427087 | Click to see | 152.23 | unknown | via CMAUP database |
| (2E)-Decenal | 5283345 | Click to see | 154.25 | unknown | via CMAUP database |
| (E)-2-Octenal | 5283324 | Click to see | 126.20 | unknown | via CMAUP database |
| (Z)-non-2-enal | 5354833 | Click to see | 140.22 | unknown | via CMAUP database |
| 2-Decenal, (2Z)- | 5354834 | Click to see | 154.25 | unknown | via CMAUP database |
| 2-Hexenal, (2Z)- | 6428782 | Click to see | 98.14 | unknown | via CMAUP database |
| 2-Nonenal | 5283335 | Click to see CCCCCCC=CC=O | 140.22 | unknown | via CMAUP database |
| 2-Octenal, (2Z)- | 6427080 | Click to see CCCCCC=CC=O | 126.20 | unknown | via CMAUP database |
| 2,4-Decadienal | 5283349 | Click to see | 152.23 | unknown | via CMAUP database |
| Deca-2,4-dienal | 16899 | Click to see | 152.23 | unknown | via CMAUP database |
| Decanal | 8175 | Click to see | 156.26 | unknown | via CMAUP database |
| Dodec-6-enal | 53427725 | Click to see | 182.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| Dodecanal | 8194 | Click to see | 184.32 | unknown | via CMAUP database |
| Heptanal | 8130 | Click to see | 114.19 | unknown | via CMAUP database |
| Hexanal | 6184 | Click to see | 100.16 | unknown | via CMAUP database |
| Octanal | 454 | Click to see | 128.21 | unknown | via CMAUP database |
| trans-2-Hexenal | 5281168 | Click to see | 98.14 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes | |||||
| (S)-2-Methylbutanal | 6971249 | Click to see | 86.13 | unknown | via CMAUP database |
| 2-Methylbutanal | 7284 | Click to see | 86.13 | unknown | via CMAUP database |
| Isobutyraldehyde | 6561 | Click to see | 72.11 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals | |||||
| trans-2-Methyl-2-butenal | 5321950 | Click to see | 84.12 | unknown | via CMAUP database |
| trans-Tiglaldehyde | 6028462 | Click to see CC=C(C)C=O | 84.12 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
| 1-Penten-3-one, 4-methyl- | 74152 | Click to see | 98.14 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha-acyloxy carbonyl compounds / Alpha-acyloxy ketones | |||||
| Acetoxyacetone | 11593 | Click to see CC(=O)COC(=O)C | 116.11 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones | |||||
| 2-Acetylpyrrole | 14079 | Click to see | 109.13 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones | |||||
| 2-Cyclopenten-1-one | 13588 | Click to see | 82.10 | unknown | via CMAUP database |
| 2-Methyl-2-cyclopenten-1-one | 14266 | Click to see CC1=CCCC1=O | 96.13 | unknown | via CMAUP database |
| Cyclopentadecanone | 10409 | Click to see | 224.38 | unknown | https://doi.org/10.1080/14786410601129598 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones | |||||
| Isophorone | 6544 | Click to see | 138.21 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones | |||||
| 2-Heptanone | 8051 | Click to see | 114.19 | unknown | via CMAUP database |
| 2-Nonanone | 13187 | Click to see | 142.24 | unknown | via CMAUP database |
| 2-Undecanone | 8163 | Click to see | 170.29 | unknown | via CMAUP database |
| 4-Octanone | 11516 | Click to see CCCCC(=O)CCC | 128.21 | unknown | via CMAUP database |
| 6-Methyl-5-hepten-2-one | 9862 | Click to see | 126.20 | unknown | via CMAUP database |
| 6-Undecanone | 13561 | Click to see | 170.29 | unknown | via CMAUP database |
| Solanone | 6451337 | Click to see CC(C)C(CCC(=O)C)C=CC(=C)C | 194.31 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones | |||||
| Diacetone Alcohol | 31256 | Click to see | 116.16 | unknown | https://doi.org/10.1016/J.JPBA.2007.03.011 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| 1-(2-Hydroxyphenyl)pentan-1-one | 241635 | Click to see | 178.23 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| 3,4-Dimethylacetophenone | 77193 | Click to see | 148.20 | unknown | via CMAUP database |
| Butyrophenone | 10315 | Click to see | 148.20 | unknown | via CMAUP database |
| Valerophenone | 66093 | Click to see | 162.23 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzodioxoles | |||||
| Safrole | 5144 | Click to see | 162.18 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzofurans / Benzofuranones | |||||
| (-)-3-Butylphthalide | 11116832 | Click to see | 190.24 | unknown | via CMAUP database |
| (2'Z,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione | 59146369 | Click to see | 378.50 | unknown | via CMAUP database |
| Ansaspirolide | 44575265 | Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC | 378.50 | unknown | via CMAUP database |
| Butylphthalide | 61361 | Click to see | 190.24 | unknown |
https://doi.org/10.1002/BMC.696 https://doi.org/10.1021/JF802820D |
| > Organoheterocyclic compounds / Benzofurans / Benzofuranones / Phthalic anhydrides | |||||
| Phthalic anhydride | 6811 | Click to see C1=CC=C2C(=C1)C(=O)OC2=O | 148.11 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzofurans / Dibenzofurans | |||||
| Dibenzofuran | 568 | Click to see | 168.19 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159924/ |
| > Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides | |||||
| Levistolide A | 70698035 | Click to see CCCC=C1C2=C(C3C(CC2)C4CCC35C(=C4)C(=O)OC5=CCCC)C(=O)O1 | 380.50 | unknown | via CMAUP database |
| Npc131852 | 5317139 | Click to see | 206.24 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Epoxides | |||||
| 1,2-Epoxyhexadecane | 23741 | Click to see | 240.42 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Heteroaromatic compounds | |||||
| 2-Methylfuran | 10797 | Click to see CC1=CC=CO1 | 82.10 | unknown | via CMAUP database |
| 2-Pentylfuran | 19602 | Click to see | 138.21 | unknown | via CMAUP database |
| 3-Methyl-2-(3-methylbut-2-enyl)-furan | 84825 | Click to see | 150.22 | unknown | via CMAUP database |
| Furfuryl acetate | 12170 | Click to see CC(=O)OCC1=CC=CO1 | 140.14 | unknown | via CMAUP database |
| Furfuryl alcohol | 7361 | Click to see C1=COC(=C1)CO | 98.10 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Indoles and derivatives / Indoles | |||||
| Indole | 798 | Click to see | 117.15 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isobenzofurans | |||||
| (3Z,6S,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one | 5321251 | Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 | 224.25 | unknown | via CMAUP database |
| (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one | 5877292 | Click to see | 190.24 | unknown | via CMAUP database |
| 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride | 138348 | Click to see | 150.13 | unknown | via CMAUP database |
| 3-Butanoyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one | 11264524 | Click to see | 222.24 | unknown | via CMAUP database |
| 3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one | 529865 | Click to see | 190.24 | unknown | via CMAUP database |
| 3-N-Butyl-4,5-dihydrophthalide | 173843 | Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 | 192.25 | unknown | via CMAUP database |
| 3-N-butyl-4,5-dihydrophthalide, (S)- | 3085257 | Click to see | 192.25 | unknown | via CMAUP database |
| Butylidene dihydro-phthalide | 91182135 | Click to see | 190.24 | unknown | https://doi.org/10.1016/J.JPBA.2007.03.011 |
| Butylidene dihydrophthalide | 91752777 | Click to see | 190.24 | unknown | via CMAUP database |
| Ligustilide | 5319022 | Click to see | 190.24 | unknown | via CMAUP database |
| Npc161706 | 11241196 | Click to see | 206.24 | unknown | via CMAUP database |
| Riligustilide | 6442656 | Click to see CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1 | 380.50 | unknown | via CMAUP database |
| Senkyunolide I | 11521428 | Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 | 224.25 | unknown | via CMAUP database |
| Tokinolide B | 11090206 | Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC | 380.50 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones | |||||
| (Z)-3-butylidene-7-hydroxyphthalide | 5281559 | Click to see | 204.22 | unknown | via CMAUP database |
| 1(3H)-Isobenzofuranone, 3-butylidene- | 62368 | Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 | 188.22 | unknown | https://doi.org/10.1016/J.CHROMA.2012.03.013 |
| Butylidenephthalide | 642376 | Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 | 188.22 | unknown |
https://doi.org/10.1016/J.JEP.2010.04.003 https://doi.org/10.1021/JF802820D https://doi.org/10.1002/PCA.968 |
| Butylidenephthalide | 5352899 | Click to see | 188.22 | unknown | https://doi.org/10.1021/JF802820D |
| > Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides | |||||
| Phthalide | 6885 | Click to see | 134.13 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones / Phthalimides | |||||
| N-Methylphthalimide | 11074 | Click to see | 161.16 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Beta propiolactones | |||||
| (-)-beta-Butyrolactone | 6998969 | Click to see CC1CC(=O)O1 | 86.09 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| (5S)-5-hexyloxolan-2-one | 7057904 | Click to see | 170.25 | unknown | via CMAUP database |
| (R)-5-pentyldihydrofuran-2(3H)-one | 11094875 | Click to see | 156.22 | unknown | via CMAUP database |
| (R)-gamma-Decalactone | 183870 | Click to see | 170.25 | unknown | via CMAUP database |
| cis-4-Hydroxy-3-methylundecanoic acid lactone | 91701100 | Click to see CCCCCCCC1C(CC(=O)O1)C | 198.30 | unknown | via CMAUP database |
| Gamma-Butyrolactone | 7302 | Click to see | 86.09 | unknown | via CMAUP database |
| Gamma-Decalactone | 12813 | Click to see | 170.25 | unknown | via CMAUP database |
| Gamma-nonalactone | 7710 | Click to see CCCCCC1CCC(=O)O1 | 156.22 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Oxepanes | |||||
| (+)-cis-Limonene 1,2-epoxide | 6432653 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
| Limonene oxide | 91496 | Click to see | 152.23 | unknown | via CMAUP database |
| Limonene oxide, (-)- | 10953718 | Click to see | 152.23 | unknown | via CMAUP database |
| Limonene oxide, trans-(-)- | 8029780 | Click to see | 152.23 | unknown | via CMAUP database |
| Limonene-1,2-epoxide | 441245 | Click to see | 152.23 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids | |||||
| 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 3405 | Click to see | 441.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Tetrahydrofolic acids and derivatives / Tetrahydrofolic acids | |||||
| (2R)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 54575 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
| (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid | 149436 | Click to see | 473.40 | unknown | via CMAUP database |
| 2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 143 | Click to see | 473.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pyrans | |||||
| Dehydro-1,8-cineole | 523035 | Click to see | 152.23 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pyrans / Pyranones and derivatives | |||||
| Maltol | 8369 | Click to see | 126.11 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Dihydropyridines | |||||
| 4-Hydroxypyridine | 12290 | Click to see | 95.10 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids | |||||
| Nicotinic Acid | 938 | Click to see | 123.11 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| [2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 102184431 | Click to see | 404.40 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/ |
| Angeliferulate | 11654315 | Click to see | 404.40 | unknown | via CMAUP database |
| Coniferyl ferulate | 6441913 | Click to see | 356.40 | unknown | via CMAUP database |
| p-Hydroxyphenethyl trans-ferulate | 637308 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=C(C=C2)O)O | 314.30 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/ |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| Caffeic Acid | 689043 | Click to see | 180.16 | unknown | via CMAUP database |
| cis-Caffeic acid | 1549111 | Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O | 180.16 | unknown | via CMAUP database |
| Ferulic Acid | 445858 | Click to see | 194.18 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives | |||||
| 6-Methoxycoumarin | 11240776 | Click to see COC1=CC2=C(C=C1)OC(=O)C=C2 | 176.17 | unknown | via CMAUP database |
| 7-Methoxy-5-prenyloxycoumarin | 15108314 | Click to see CC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C | 260.28 | unknown | https://doi.org/10.1021/NP000441W |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins | |||||
| (-)-Columbianetin | 442104 | Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O | 246.26 | unknown | https://doi.org/10.1248/CPB.16.1139 |
| 8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo(2,3-h)-1-benzopyran-2-one | 150888 | Click to see | 246.26 | unknown | via CMAUP database |
| Columbianetin | 92201 | Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O | 246.26 | unknown | via CMAUP database |
| Isopsoralen | 10658 | Click to see | 186.16 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens | |||||
| (2R)-2-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one | 154497099 | Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O | 408.40 | unknown | https://doi.org/10.1021/NP000441W |
| 2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one | 604512 | Click to see | 246.26 | unknown | https://doi.org/10.1021/NP000441W |
| 2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one | 5319288 | Click to see | 408.40 | unknown | via CMAUP database |
| 2-isopropyl-7H-furo[3,2-g]chromen-7-one | 677576 | Click to see | 228.24 | unknown | via CMAUP database |
| 2,3-Dihydro-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one | 611672 | Click to see | 228.24 | unknown | via CMAUP database |
| Isoimperatorin | 68081 | Click to see | 270.28 | unknown | https://doi.org/10.1021/NP000441W |
| Marmesin | 334704 | Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O | 246.26 | unknown | https://doi.org/10.1021/NP000441W |
| Marmesin galactoside | 611513 | Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O | 408.40 | unknown | https://doi.org/10.1021/NP000441W |
| Nodakenetin | 26305 | Click to see | 246.26 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2833429/ https://doi.org/10.1248/CPB.16.1139 https://doi.org/10.1016/0031-9422(91)83763-B |
| Nodakenin | 73191 | Click to see | 408.40 | unknown |
https://doi.org/10.1021/NP000441W https://doi.org/10.1016/0031-9422(91)83763-B |
| Psoralen | 6199 | Click to see | 186.16 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens | |||||
| Bergapten | 2355 | Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 216.19 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens | |||||
| 8-Methoxypsoralen | 4114 | Click to see | 216.19 | unknown |
https://doi.org/10.1021/NP000441W https://doi.org/10.1016/J.JPBA.2007.03.011 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins | |||||
| Prenyletin | 3873459 | Click to see CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C | 246.26 | unknown | https://doi.org/10.1016/0031-9422(91)83763-B |
| > 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-hydroxycoumarins | |||||
| 6-(2,3-Dihydroxy-3-methylbutyl)-8-[[6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-2-oxochromen-8-yl]methoxymethyl]-7-hydroxychromen-2-one | 14779754 | Click to see | 570.60 | unknown | https://doi.org/10.1016/0031-9422(91)83763-B |
| 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-8-[[6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-oxochromen-8-yl]methoxymethyl]-7-hydroxychromen-2-one | 101419857 | Click to see | 570.60 | unknown | https://doi.org/10.1016/0031-9422(91)83763-B |
| 7-Hydroxy-6-(2-(R)-Hydroxy-3-Methylbut-3-Enyl)Coumarin | 12050842 | Click to see | 246.26 | unknown | https://doi.org/10.1021/NP000441W |
| 7-Hydroxy-6-(2-hydroxy-3-methylbut-3-enyl)chromen-2-one | 85433263 | Click to see | 246.26 | unknown | https://doi.org/10.1021/NP000441W |
| 7-Hydroxy(~2~H_5_)-2H-1-benzopyran-2-one | 45358955 | Click to see | 167.17 | unknown | via CMAUP database |
| Demethylsuberosin | 5316525 | Click to see | 230.26 | unknown |
https://doi.org/10.1021/NP000441W https://doi.org/10.1248/CPB.16.1139 |
| Peucedanone | 5324562 | Click to see CC(C)(C(=O)CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O | 262.26 | unknown | https://doi.org/10.1021/NP000441W |
| Umbelliferone | 5281426 | Click to see C1=CC(=CC2=C1C=CC(=O)O2)O | 162.14 | unknown |
https://doi.org/10.1021/NP000441W https://doi.org/10.1248/CPB.16.1139 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins | |||||
| 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)- | 759302 | Click to see CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C | 246.26 | unknown | https://doi.org/10.1016/J.JPBA.2007.03.011 |
| Seselin | 68229 | Click to see | 228.24 | unknown | https://doi.org/10.1016/J.JPBA.2007.03.011 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins | |||||
| (+)-Decursin | 442126 | Click to see | 328.40 | unknown |
https://doi.org/10.1248/BPB.21.990 https://doi.org/10.1248/CPB.16.1139 https://doi.org/10.1142/S0192415X09006722 https://doi.org/10.1016/0031-9422(91)83763-B https://doi.org/10.3892/IJMM_00000386 https://doi.org/10.1007/BF02976682 https://doi.org/10.1002/PTR.3372 https://doi.org/10.1021/NP000441W https://doi.org/10.1055/S-2006-957701 |
| (+)-Decursinol | 442127 | Click to see | 246.26 | unknown |
https://doi.org/10.1248/BPB.21.990 https://doi.org/10.1248/CPB.16.1139 https://doi.org/10.1016/0031-9422(91)83763-B |
| (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2-methylbut-2-enoate | 611538 | Click to see | 328.40 | unknown | https://doi.org/10.1055/S-2006-957701 |
| (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2,3-dimethyloxirane-2-carboxylate | 72802059 | Click to see | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 4-hydroxy-2-methylbut-2-enoate | 73797070 | Click to see | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 4-hydroxy-3-methylbut-2-enoate | 72786169 | Click to see CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)CO | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| (2'R,3'R)-Epoxyangeloyldecursinol | 11462054 | Click to see | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| (2'S,3'S)-Epoxyangeloyldecursinol | 11325377 | Click to see | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| (9,9-dimethyl-2-oxo-3,4-dihydropyrano[2,3-g]chromen-3-yl) (Z)-2-methylbut-2-enoate | 15596603 | Click to see | 328.40 | unknown | https://doi.org/10.1016/0031-9422(91)83763-B |
| [(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate | 44144310 | Click to see | 328.40 | unknown | https://doi.org/10.1021/NP000441W |
| 4'-Hydroxydecursin | 11290871 | Click to see | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| 4"-Hydroxytigloyldecursinol | 5326154 | Click to see CC(=CCO)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C | 344.40 | unknown | https://doi.org/10.1021/NP049705V |
| Aegelinol | 1150962 | Click to see | 246.26 | unknown | https://doi.org/10.1016/0031-9422(91)83763-B |
| Decursinol Angelate | 776123 | Click to see | 328.40 | unknown |
https://doi.org/10.1248/BPB.21.990 https://doi.org/10.1248/CPB.16.1139 https://doi.org/10.1055/S-2006-957701 https://doi.org/10.1007/BF02976682 |
| Npc323861 | 611537 | Click to see | 328.40 | unknown |
https://doi.org/10.1002/PTR.3372 https://doi.org/10.1021/NP000441W https://doi.org/10.3892/IJMM_00000386 |
| Xanthyletin | 65188 | Click to see CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C | 228.24 | unknown | https://doi.org/10.1021/NP000441W |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| Diosmin | 5281613 | Click to see | 608.50 | unknown | https://doi.org/10.1016/S0031-9422(98)00342-2 |
| > Phenylpropanoids and polyketides / Macrolides and analogues | |||||
| Pentadecalactone | 235414 | Click to see | 240.38 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Ochratoxins and related substances | |||||
| N-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)phenylalanine | 4580 | Click to see | 403.80 | unknown | via CMAUP database |
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