Angelica dahurica
Details Top
| Internal ID | UUID644009631512b470911667 |
| Scientific name | Angelica dahurica |
| Authority | (Hoffm.) Benth. & Hook.f. ex Franch. & Sav. |
| First published in | Enum. Pl. Jap. 1: 187 (1873) |
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 dahurica, known in Chinese as “Bai Zhi,” has a long record of medicinal use in East Asian traditional medicine. In the Chinese Pharmacopoeia (2020) it is prescribed as a decoction of the dried root to treat headaches, dizziness, and febrile colds, and as a poultice of crushed root for bruises and swelling. The Korean Pharmacopoeia (2015) documents a similar decoction of the root and rhizome for “wind‑cold” symptoms, and the Japanese Pharmacopoeia (2018) lists an infusion of the dried root for migraine relief. Among the Mongolian nomads, the root and leaves are ground into a tea to alleviate joint pain and to warm the body during winter, as recorded in the Mongolian Ethnobotanical Survey (2012). These traditions all rely on infusions, decoctions, or topical macerations of the root, rhizome, and occasionally the leaves.
A simple, safe tea can be made at home by steeping 5 g of dried root in 200 ml of boiling water for 10 minutes. Strain the liquid and drink one cup in the morning and one in the evening. The tea is mild and generally well tolerated, but it should be avoided by pregnant women and by people taking anticoagulants, as coumarin compounds in the plant can increase bleeding risk. If you have liver disease or are on medication, consult a healthcare professional before use.
The therapeutic effects of Angelica dahurica are largely attributed to its coumarin and furanocoumarin constituents, notably imperatorin, isoimperatorin, and bergapten, which have documented anti‑inflammatory and analgesic activity. The essential oil, rich in dihydrocarvone and limonene, contributes to the plant’s warming and circulation‑stimulating properties. These compounds have been isolated and quantified in several phytochemical studies, providing a biochemical basis for the traditional uses described above.
Today, Angelica dahurica is available as a dried root in herbal tea blends and as a standardized extract in some commercial TCM preparations. Ongoing research is exploring its anti‑inflammatory potential in vitro and its safety profile in clinical trials, suggesting that this centuries‑old remedy may still hold valuable therapeutic promise.
General Uses Top
Suggest a correction!Common products:
Angelica dahurica yields an essential oil containing furanocoumarins (e.g., imperatorin, bergapten) and monoterpenes used as a fragrance component and in flavor/aroma applications at trace levels. Commercial products include the essential oil and “Baizhi” extracts standardized to furanocoumarins for use as fragrance or flavoring ingredients.
Industrial and craft applications:
The essential oil and extracts are used as fragrance fixatives and in certain cosmetic formulations. Due to phototoxic furanocoumarins, the plant material is not used as a direct pigment source for textiles.
Food and beverages (non-medicinal):
Essential oil from the roots is employed as a flavoring agent in processed foods and beverages at very low levels, providing aromatic notes characteristic of the Apiaceae family.
Colorants and tanning:
No documented use as a natural dye or tanning agent; no dyes are reported in reliable references.
Wood and fiber:
No documented timber, pulp, or fiber uses.
Fragrance and cosmetics:
Essential oil and extracts are used in perfumes, soaps, and other leave-on/rinse-off cosmetics as fragrance. The furanocoumarin-rich profile acts as a natural fixative, enhancing persistence; components like imperatorin and bergapten are major contributors to the odor profile. The fixed oil from seeds is used as an emollient and texture enhancer in cosmetic emulsions.
Properties relevant to use:
Key constituents include furanocoumarins (imperatorin, bergapten) and monoterpenes; the fixed oil contains linoleic acid (C18:2) predominating over oleic (C18:1), with measurable acid and peroxide values appropriate for cosmetic-grade oils.
Standards and regulation:
Use in cosmetics and flavors is subject to general safety and labeling frameworks (e.g., EU Cosmetic Regulation 1223/2009; IFRA Standards for fragrance materials). Due to phototoxic furanocoumarins, maximum-use levels and restrictions may apply in leave-on products; compliance with allergen labeling is required where applicable.
Sustainability and sourcing:
Material is obtained through cultivated harvests of roots and occasionally seeds; production volumes are limited, and sourcing risk is moderate. No specific timber or fiber sustainability concerns apply given non-timber products.
Synonyms Top
| Scientific name | Authority | First published in |
|---|---|---|
| Thysselinum dahuricum | (Hoffm.) Spreng. | Syst. Veg. 1: 895 (1824) |
| Procris chinensis | Spreng. | Syst. Veg. 3: 846 (1826) |
| Angelica glabra | Makino | Somoku-Dzusetsu , ed. 3, 1: 343 (1907) |
| Angelica macrocarpa | H.Wolff | Repert. Spec. Nov. Regni Veg. 28: 111 (1930) |
| Angelica porphyrocaulis | Nakai & Kitag. | Rep. Exped. Manchoukuo Sect. IV 1: 33 (1934) |
| Angelica pubescens var. glabra | Y.Yabe | Rev. Umb. Jap. 81 1902 |
| Angelica tschiliensis | H.Wolff | Acta Horti Gothob. 2: 319 (1926) |
| Callisace dahurica | Hoffm. | Gen. Pl. Umbell. , ed. 2: 206 (1816) |
| Dorstenia chinensis | Lour. | Fl. Cochinch. : 90 (1790) |
| Dorstenia digitifolia | Stokes | Bot. Mat. Med. 4: 341 (1812) |
| Angelica dahurica var. pai-chi | Kimura | J. Jap. Bot. 35: 211 1960 |
| Angelica porphyrocaulis f. latisecta | Kitag. | J. Jap. Bot. 12: 313 1936 |
| Angelica porphyrocaulis var. albiflora | Makino |
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| Azerbaijani | daur tütəkcəsi |
| French | angélique de chine |
| French | báizhǐ |
| Japanese | ビャクシ |
| Japanese | 白芷 |
| Japanese | ヨロイグサ |
| Korean | 구릿대 |
| lzh | 白芷 |
| Thai | แปะจี้ |
| Vietnamese | bạch chỉ |
| Chinese | 兴安白芷 |
| Chinese | 大活 |
| Chinese | 走马芹 |
| Chinese | 祁白芷 |
| Chinese | 白芷(兴安白芷) |
| Chinese | 白芷 |
Varieties (abbr. var.) Top
Add a new one! Suggest a correction!| Name | Authority | First published in |
|---|---|---|
| Angelica dahurica var. formosana | (Boissieu) Yen | J. Taiwan Pharm. Assoc. 17(2): 68 1963 |
| Angelica dahurica var. dahurica | Unknown |
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
- China North-central
- Inner Mongolia
- Manchuria
-
Eastern Asia
- Japan
- Korea
- Taiwan
-
Mongolia
- Mongolia
-
Russian Far East
- Amur
- Khabarovsk
- Primorye
-
Siberia
- Buryatiya
- Chita
- Irkutsk
- Yakutskiya
-
China
-
Asia-tropical click to expand
-
Indo-China
- Vietnam
-
Indo-China
Links to other databases Top
Suggest others/fix!| Database | ID/link to page |
|---|---|
| World Flora Online | wfo-0000536154 |
| UNII | 667W6C5J4P |
| Tropicos | 1701403 |
| KEW | urn:lsid:ipni.org:names:60451989-2 |
| The Plant List | kew-2639044 |
| Open Tree Of Life | 49588 |
| Observations.org | 114506 |
| NCBI Taxonomy | 48101 |
| IPNI | 60451989-2 |
| iNaturalist | 501057 |
| GBIF | 5537813 |
| Freebase | /m/0gtxthh |
| EPPO | ANKDA |
| EOL | 2890536 |
| USDA GRIN | 3418 |
| Wikipedia | Angelica_dahurica |
| CMAUP | NPO24758 |
| PFAF | Angelica dahurica |
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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If you wish to see all the related articles click here.
Phytochemical Profile Top
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Below are displayed the proven (via scientific papers) natural compounds!
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| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Alkaloids and derivatives / Benzophenanthridine alkaloids / Dihydrobenzophenanthridine alkaloids | |||||
| (23S)-23-ethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene | 86310874 | Click to see CCOC1C2=C(C=CC3=C2OCO3)C4=C(N1C)C5=CC6=C(C=C5C=C4)OCO6 | 377.40 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Benzophenanthridine alkaloids / Quaternary benzophenanthridine alkaloids | |||||
| Chelerythrine | 2703 | Click to see | 348.40 | unknown | via CMAUP database |
| Sanguinarium | 5154 | Click to see C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 | 332.30 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Eburnan-type alkaloids | |||||
| methyl (1R,19R)-12-ethyl-4-[(15S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-yl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate | 5316526 | Click to see | 628.80 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Phthalide isoquinolines | |||||
| (-)-Adlumine | 638255 | Click to see CN1CCC2=CC(=C(C=C2C1C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC | 383.40 | unknown | via CMAUP database |
| (+)-Corlumine | 5316069 | Click to see CN1CCC2=CC(=C(C=C2C1C3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC | 383.40 | unknown | via CMAUP database |
| (6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one | 442155 | Click to see | 383.40 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Protoberberine alkaloids and derivatives | |||||
| (-)-13beta-Hydroxystylopine | 6452886 | Click to see C1CN2CC3=C(C=CC4=C3OCO4)C(C2C5=CC6=C(C=C51)OCO6)O | 339.30 | unknown | via CMAUP database |
| (-)-Tetrahydrocolumbamine | 440229 | Click to see | 341.40 | unknown | via CMAUP database |
| (R)-Canadine | 443422 | Click to see COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC | 339.40 | unknown | via CMAUP database |
| (S)-Canadine | 21171 | Click to see | 339.40 | unknown | via CMAUP database |
| (S)-Cheilanthifoline | 440582 | Click to see COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O | 325.40 | unknown | via CMAUP database |
| Berberine | 2353 | Click to see | 336.40 | unknown | via CMAUP database |
| Coptisine | 72322 | Click to see C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 | 320.30 | unknown | via CMAUP database |
| Isocorypalmine, (+)- | 71261649 | Click to see | 341.40 | unknown | via CMAUP database |
| Ophiocarpine | 12313750 | Click to see | 355.40 | unknown | via CMAUP database |
| Stylopine | 440583 | Click to see | 323.30 | unknown | via CMAUP database |
| Tetrahydroscoulerine | 45490416 | Click to see | 322.30 | unknown | via CMAUP database |
| > Alkaloids and derivatives / Protopine alkaloids | |||||
| Allocryptopine | 98570 | Click to see | 369.40 | unknown | via CMAUP database |
| Protopine | 4970 | Click to see CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 | 353.40 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives | |||||
| Hexa-1,3-diynylbenzene | 5320055 | Click to see CCC#CC#CC1=CC=CC=C1 | 154.21 | unknown | via CMAUP database |
| Phenylethyl Alcohol | 6054 | Click to see C1=CC=C(C=C1)CCO | 122.16 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
| Dibutyl Phthalate | 3026 | Click to see | 278.34 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Phenoxy compounds | |||||
| 7-Methoxy-3-phenoxy-4a,5,6,7,8,8a-hexahydrochromen-4-one | 77519186 | Click to see | 274.31 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Phenylpropanes | |||||
| (+)-N-Methylephedrine | 102023 | Click to see CC(C(C1=CC=CC=C1)O)N(C)C | 179.26 | unknown | via CMAUP database |
| > Benzenoids / Pyrenes | |||||
| Pyrene | 31423 | Click to see | 202.25 | unknown | via CMAUP database |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
| Heptatriacontane | 23598 | Click to see | 521.00 | unknown |
https://doi.org/10.1055/S-2006-957985 https://doi.org/10.1007/BF00563962 |
| Hexacosane | 12407 | Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC | 366.70 | unknown | via CMAUP database |
| Nonane | 8141 | Click to see | 128.25 | unknown | via CMAUP database |
| Pentacosane | 12406 | Click to see | 352.70 | unknown | via CMAUP database |
| > Hydrocarbons / Saturated hydrocarbons / Cycloalkanes | |||||
| Cyclododecane | 9268 | Click to see | 168.32 | unknown | via CMAUP database |
| Propylcyclopentane | 16270 | Click to see CCCC1CCCC1 | 112.21 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
| Gamma-Terpinene | 7461 | Click to see | 136.23 | unknown | via CMAUP database |
| Methylenecyclohexane | 14502 | Click to see | 96.17 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes | |||||
| (4E,7E)-trideca-1,4,7-triene | 5322027 | Click to see | 178.31 | unknown | via CMAUP database |
| > Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons | |||||
| 1-Eicosene | 18936 | Click to see CCCCCCCCCCCCCCCCCCC=C | 280.50 | unknown | via CMAUP database |
| 1-Hexadecene | 12395 | Click to see | 224.42 | unknown | via CMAUP database |
| 1-Pentadecene | 25913 | Click to see | 210.40 | unknown | via CMAUP database |
| 1-Tetradecene | 14260 | Click to see | 196.37 | unknown | via CMAUP database |
| Undecene | 5364452 | Click to see | 154.29 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds | |||||
| 4-[(1Z)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol | 5319736 | Click to see COC1=CC=C(C=C1)C=CC(C=C)C2=CC=C(C=C2)O | 266.30 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
| [(2R)-2-hydroxypropyl] (Z)-octadec-9-enoate | 76960585 | Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O | 340.50 | unknown | via CMAUP database |
| Ethyl Decanoate | 8048 | Click to see CCCCCCCCCC(=O)OCC | 200.32 | unknown | via CMAUP database |
| Ethyl Dodecanoate | 7800 | Click to see | 228.37 | unknown | via CMAUP database |
| Ethyl Oleate | 5363269 | Click to see | 310.50 | unknown | via CMAUP database |
| Ethyl stearate | 8122 | Click to see | 312.50 | unknown | via CMAUP database |
| Ethyl trans-crotonate | 429065 | Click to see | 114.14 | unknown | via CMAUP database |
| Ethyl undecanoate | 12327 | Click to see CCCCCCCCCCC(=O)OCC | 214.34 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Cyanolipids / Type 1 cyanolipids | |||||
| [(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate | 5321837 | Click to see CCCCCCCCCCCCCC(=O)OCC(=CC#N)C | 307.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters | |||||
| Methyl Laurate | 8139 | Click to see CCCCCCCCCCCC(=O)OC | 214.34 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Wax esters / Wax monoesters | |||||
| Lauryl Palmitate | 110202 | Click to see | 424.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids | |||||
| Isovaleric Acid | 10430 | Click to see | 102.13 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
| Palmitic Acid | 985 | Click to see | 256.42 | unknown | via CMAUP database |
| Tridecanoic acid | 12530 | Click to see | 214.34 | 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 |
| Nonanoic Acid | 8158 | Click to see CCCCCCCCC(=O)O | 158.24 | unknown | via CMAUP database |
| Undecylenic Acid | 5634 | Click to see C=CCCCCCCCCC(=O)O | 184.27 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters | |||||
| Dodecyl acetate | 8205 | Click to see CCCCCCCCCCCCOC(=O)C | 228.37 | unknown | via CMAUP database |
| Geranyl propionate | 5355853 | Click to see | 210.31 | unknown | via CMAUP database |
| Hexadecyl 3-methylbutanoate | 568511 | Click to see CCCCCCCCCCCCCCCCOC(=O)CC(C)C | 326.60 | unknown | via CMAUP database |
| Undecyl acetate | 15605 | Click to see | 214.34 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
| 1-Decanol | 8174 | Click to see | 158.28 | unknown | via CMAUP database |
| 1-Nonen-3-ol | 89560 | Click to see | 142.24 | unknown | via CMAUP database |
| 1-Tetracosanol | 10472 | Click to see | 354.70 | unknown | via CMAUP database |
| 3-Octanol | 11527 | Click to see | 130.23 | unknown | via CMAUP database |
| Lauryl Alcohol | 8193 | Click to see | 186.33 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols | |||||
| (114C)heptadecan-1-ol | 10015395 | Click to see | 258.46 | unknown | via CMAUP database |
| (3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol | 56935895 | Click to see | 260.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2003.11.010 |
| (3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol | 91973785 | Click to see | 260.40 | unknown | via CMAUP database |
| 1-Heptadecanol | 15076 | Click to see CCCCCCCCCCCCCCCCCO | 256.50 | unknown | via CMAUP database |
| 1-Tetradecanol | 8209 | Click to see CCCCCCCCCCCCCCO | 214.39 | unknown | via CMAUP database |
| 1,9-Heptadecadiene-4,6-diyne-3,8-diol | 6436239 | Click to see | 260.40 | unknown | via CMAUP database |
| 5-Octadecanol | 33601 | Click to see CCCCCCCCCCCCCC(CCCC)O | 270.50 | unknown | via CMAUP database |
| 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 |
| Falcalindiol | 3321 | Click to see | 260.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2003.11.010 |
| Falcarindiol | 5281148 | Click to see | 260.40 | unknown |
https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/J.PHYTOCHEM.2003.11.010 |
| 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 |
| Oleyl alcohol | 5284499 | Click to see CCCCCCCCC=CCCCCCCCCO | 268.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes | |||||
| Tridecanal | 25311 | Click to see | 198.34 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Ethyl Linoleate | 5282184 | Click to see | 308.50 | unknown | via CMAUP database |
| Monolinolein | 6436630 | Click to see | 354.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids | |||||
| [(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate | 5318035 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C | 586.80 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
| (3E)-3,7-dimethylocta-3,6-dien-1-ol | 6536347 | Click to see | 154.25 | unknown | via CMAUP database |
| Myrcene | 31253 | Click to see | 136.23 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
| Carvacrol | 10364 | Click to see CC1=C(C=C(C=C1)C(C)C)O | 150.22 | unknown | via CMAUP database |
| P-Cymene | 7463 | Click to see | 134.22 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
| (-)-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 |
| (-)-cis-Sabinol | 42626427 | Click to see | 152.23 | unknown | via CMAUP database |
| (+)-3-Carene | 443156 | Click to see | 136.23 | unknown | via CMAUP database |
| (4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | 23308299 | Click to see CC1(C2CCC1(C(=O)C2)C)C | 152.23 | unknown | via CMAUP database |
| (E)-alpha-bergamotene | 13889654 | Click to see | 204.35 | unknown | via CMAUP database |
| 3-Carene | 26049 | Click to see CC1=CCC2C(C1)C2(C)C | 136.23 | unknown | via CMAUP database |
| alpha-Pinene, (+)- | 82227 | Click to see | 136.23 | unknown | via CMAUP database |
| Beta-Pinene | 14896 | Click to see | 136.23 | unknown | via CMAUP database |
| Myrtenyl acetate | 11435490 | Click to see | 194.27 | unknown | via CMAUP database |
| Npc126240 | 44630108 | Click to see | 196.29 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
| (-)-Terpinen-4-ol | 5325830 | Click to see CC1=CCC(CC1)(C(C)C)O | 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 |
| Beta-Phellandrene | 11142 | Click to see CC(C)C1CCC(=C)C=C1 | 136.23 | unknown | via CMAUP database |
| beta-Terpinene | 66841 | Click to see CC(C)C1=CCC(=C)CC1 | 136.23 | unknown | via CMAUP database |
| Carvone, (-)- | 439570 | Click to see | 150.22 | unknown | via CMAUP database |
| Carvone, (+)- | 16724 | Click to see CC1=CCC(CC1=O)C(=C)C | 150.22 | unknown | via CMAUP database |
| Limonene, (-)- | 439250 | Click to see | 136.23 | unknown | via CMAUP database |
| p-Menth-3-en-1-ol | 11468 | Click to see | 154.25 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
| (+)-Nerolidol | 5356544 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
| (1Z,4E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene | 45115091 | Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C | 204.35 | unknown | via CMAUP database |
| (3R,6E)-Nerolidol | 11241545 | Click to see | 222.37 | unknown | via CMAUP database |
| 2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane | 6432312 | Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C | 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 |
| Caryophyllene,alpha + beta mixt. | 5354499 | Click to see | 204.35 | unknown | via CMAUP database |
| Elixene | 94254 | Click to see | 204.35 | unknown | via CMAUP database |
| Humulene | 5281520 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids | |||||
| Aristolone | 165536 | Click to see | 218.33 | 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 |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids | |||||
| Beta-Elemene | 6918391 | Click to see | 204.35 | unknown | via CMAUP database |
| Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- | 9859094 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
| Beta-Selinene | 442393 | Click to see | 204.35 | unknown | via CMAUP database |
| Npc289143 | 521242 | Click to see | 204.35 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
| 7-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one | 5287282 | Click to see CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C | 366.50 | unknown | via CMAUP database |
| 8-Geranyloxypsoralen | 5317564 | Click to see | 338.40 | unknown | via CMAUP database |
| Bergamottin | 5471349 | Click to see CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C | 338.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| [5-(3,3-dimethyloxiran-2-yl)-3-[(10R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-yl] acetate | 5321231 | Click to see | 512.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (-)-beta-Sitosterol | 222284 | Click to see | 414.70 | unknown | via CMAUP database |
| (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 52940117 | Click to see | 576.80 | unknown | via CMAUP database |
| 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 86821 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | via CMAUP database |
| gamma-Sitosterol | 457801 | Click to see | 414.70 | unknown | via CMAUP database |
| Npc29 | 6432744 | Click to see | 414.70 | unknown | via CMAUP database |
| Sitogluside | 5742590 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| > Nucleosides, nucleotides, and analogues / Purine nucleosides | |||||
| Adenosine | 60961 | Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | 267.24 | unknown | https://doi.org/10.1007/BF02973988 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Acrylic acids and derivatives / Acrylic acid esters | |||||
| 2-Hydroxyethyl acrylate | 13165 | Click to see C=CC(=O)OCCO | 116.11 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
| [(3S)-octan-3-yl] acetate | 11819488 | Click to see | 172.26 | unknown | via CMAUP database |
| Ethyl Acetate | 8857 | Click to see | 88.11 | unknown | via CMAUP database |
| Methyl formate | 7865 | Click to see COC=O | 60.05 | unknown | via CMAUP database |
| > Organic acids and derivatives / Organic phosphoric acids and derivatives / Phosphate esters / Alkyl phosphates / Dialkyl phosphates | |||||
| Distearyl phosphate | 76433 | Click to see CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC | 603.00 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols | |||||
| (2R,3R)-Butanediol | 225936 | Click to see | 90.12 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
| 1-Propanol | 1031 | Click to see | 60.10 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols | |||||
| Cyclododecanol | 15595 | Click to see | 184.32 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins | |||||
| (S)-Acetoin | 447765 | Click to see | 88.11 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
| Dodecanal | 8194 | Click to see | 184.32 | unknown | via CMAUP database |
| Nonanal | 31289 | Click to see CCCCCCCCC=O | 142.24 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| 2,2,2-Trideuterio-1-(2-hydroxy-4-methoxyphenyl)ethanone | 11816097 | Click to see CC(=O)C1=C(C=C(C=C1)OC)O | 169.19 | unknown | via CMAUP database |
| Paeonol | 11092 | Click to see CC(=O)C1=C(C=C(C=C1)OC)O | 166.17 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Enols | |||||
| Dodecenol | 6443191 | Click to see | 184.32 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers | |||||
| Ethyl 1-ethylheptyl ether | 5320196 | Click to see | 172.31 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Azoles / Triazoles / Phenyltriazoles / Phenyl-1,2,4-triazoles | |||||
| Fenchlorazole-ethyl | 3033865 | Click to see CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl | 403.50 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans | |||||
| 6-(1-Ethoxyethyl)-5,7-dimethoxy-2,2-dimethylchromene | 5317254 | Click to see CCOC(C)C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC | 292.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isoquinolines and derivatives / Isoquinolones and derivatives | |||||
| Noroxyhydrastinine | 89047 | Click to see | 191.18 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
| Gamma-Decalactone | 12813 | Click to see | 170.25 | unknown | https://doi.org/10.1021/NP50034A034 |
| Gamma-nonalactone | 7710 | Click to see CCCCCC1CCC(=O)O1 | 156.22 | unknown | https://doi.org/10.1021/NP50034A034 |
| > Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones | |||||
| 1-Methyl-2-pentadec-6-enyl-4(1h)-quinolone | 6325679 | Click to see CCCCCCCCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C | 367.60 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Tetrahydroisoquinolines | |||||
| Corypalline | 280225 | Click to see | 193.24 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| Methyl Caffeate | 689075 | Click to see | 194.18 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| 3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid | 709 | Click to see | 194.18 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| Ferulic Acid | 445858 | Click to see | 194.18 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives | |||||
| ((1R,2R)-2,3-Dihydroxy-1-(7-Methoxy-2-Oxochromen-6-Yl)-3-Methylbutyl) (E)-2-Methylbut-2-Enoate | 44144314 | Click to see | 376.40 | unknown | https://doi.org/10.1007/BF02975261 |
| (S)-Auraptenol | 13343540 | Click to see | 260.28 | unknown | via CMAUP database |
| Coumarin | 323 | Click to see | 146.14 | unknown | via CMAUP database |
| Coumarin 7 | 94381 | Click to see | 333.40 | unknown | via CMAUP database |
| Coumarin, 7-methoxy-6-(3-methylcrotonoyl)- | 620900 | Click to see CC(=CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C | 258.27 | unknown | via CMAUP database |
| Osthol | 10228 | Click to see | 244.28 | unknown | https://doi.org/10.1007/BF02975883 |
| Scoparone | 8417 | Click to see | 206.19 | unknown | via CMAUP database |
| Suberosin | 68486 | Click to see CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C | 244.28 | unknown | via CMAUP database |
| Ulopterol | 176475 | Click to see | 278.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides | |||||
| 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one | 11953803 | Click to see COC1=C(C=C2C(=C1)CCC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O | 356.32 | unknown | via CMAUP database |
| 7-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | 320361 | Click to see C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O | 324.28 | unknown | https://doi.org/10.1007/BF02973988 |
| Esculin | 5281417 | Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O | 340.28 | unknown | via CMAUP database |
| Scopolin | 439514 | Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O | 354.31 | unknown | https://doi.org/10.1007/BF02973988 |
| Skimmin | 99693 | Click to see | 324.28 | unknown | https://doi.org/10.1007/BF02973988 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins | |||||
| (-)-Oxypeucedanin; (S)-(-)-Oxypeucedanin; Oxypeucedanin, (-)- | 53398748 | Click to see | 288.29 | unknown | via CMAUP database |
| 5-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-3,7-dihydrofuro[3,2-g]chromen-2-one | 24721547 | Click to see CC1(C(O1)COC2=CCOC3=C2C=C4CC(=O)OC4=C3)C | 288.29 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins | |||||
| Isopsoralen | 10658 | Click to see | 186.16 | unknown | via CMAUP database |
| Pimpinellin | 4825 | Click to see | 246.21 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Linear furanocoumarins | |||||
| 9-Hydroxy-5,6-dihydrofuro[3,2-g]chromen-7-one | 29920867 | Click to see | 204.18 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens | |||||
| (-)-Heraclenol | 40429858 | Click to see | 304.29 | unknown | via CMAUP database |
| (+)-Oxypeucedanin | 928465 | Click to see CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C | 286.28 | unknown |
https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1007/BF02974073 https://doi.org/10.1007/BF00563962 https://doi.org/10.1007/BF02975883 |
| (R)-(+)-Oxypeucedanin Hydrate | 53319618 | Click to see | 322.31 | unknown | via CMAUP database |
| 2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-7-one | 604512 | Click to see | 246.26 | unknown |
https://doi.org/10.1080/10286020701273759 https://doi.org/10.1016/J.JEP.2014.07.033 |
| 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 |
| 4-((2S)-2,3-dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one | 899657 | Click to see | 304.29 | unknown | via CMAUP database |
| 4-((3,3-Dimethyloxiran-2-Yl)Methoxy)Furo(3,2-G)Chromen-7-One | 160544 | Click to see | 286.28 | unknown |
https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1055/S-2002-32075 |
| 4-(2-Hydroxy-3-methoxy-3-methyl-butoxy)-furo[3,2-g][1]benzopyran-7-one | 483514 | Click to see | 318.32 | unknown | via CMAUP database |
| 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one | 483513 | Click to see | 304.29 | unknown |
https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1021/NP960407A |
| 4-[(2R)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one | 162981999 | Click to see | 598.50 | unknown | https://doi.org/10.1007/S10600-008-9004-4 |
| 4-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one | 98789241 | Click to see | 598.50 | unknown | https://doi.org/10.1007/S10600-008-9004-4 |
| 4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one | 162987520 | Click to see CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC(C(C)(C)O)O)O)O | 422.40 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| 4-[(2S)-2,4-dihydroxy-4-methylpentoxy]furo[3,2-g]chromen-7-one | 162868252 | Click to see | 318.32 | unknown | https://doi.org/10.1002/PCA.1222 |
| 4-[[(2S,4R)-9'-[(3,3-dimethyloxiran-2-yl)methoxy]-4'-methoxy-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one | 10974049 | Click to see CC1(C(O1)COC2=C3C(=C(C4=C2OC=C4)OC)C=CC5(O3)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C | 602.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| 4-[2-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one | 162981998 | Click to see | 598.50 | unknown | https://doi.org/10.1007/S10600-008-9004-4 |
| 4-[3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one | 156602803 | Click to see | 598.50 | unknown | https://doi.org/10.1007/S10600-008-9004-4 |
| 4,9-Bis(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one | 10409981 | Click to see | 422.40 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| 4,9-Bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one | 10043694 | Click to see | 354.40 | unknown | via CMAUP database |
| 5-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one | 92138201 | Click to see CC1(C(O1)COC2=CC(=O)OC3=C2C=C4C=COC4=C3)C | 286.28 | unknown | via CMAUP database |
| 5-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one | 53316971 | Click to see CC1(C(O1)COC2=CC(=O)OC3=C2C=C4C=COC4=C3)C | 286.28 | unknown | via CMAUP database |
| 9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one | 148619 | Click to see | 286.28 | unknown | via CMAUP database |
| 9-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one | 328236 | Click to see | 304.29 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| 9-[(2R)-3-hydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one | 10742835 | Click to see | 466.40 | unknown | https://doi.org/10.1007/S10600-007-0148-4 |
| 9-[3-Hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one | 85252353 | Click to see CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OC4C(C(C(C(O4)CO)O)O)O)O | 466.40 | unknown | https://doi.org/10.1007/S10600-007-0148-4 |
| Dahuribirin D | 101117858 | Click to see CC1(C(O1)COC2=C3C=COC3=CC4=C2C=CC5(O4)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C | 572.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| Dahuribirin E | 101117859 | Click to see CC1(C(OC2(O1)C=CC3=C(O2)C=C4C(=C3OCC(C(C)(C)O)O)C=CO4)COC5=C6C=CC(=O)OC6=CC7=C5C=CO7)C | 590.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| Gosferol | 511358 | Click to see | 286.28 | unknown |
https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1007/BF02892022 https://doi.org/10.1007/BF02974073 |
| Heraclenin | 458010 | Click to see CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C | 286.28 | unknown | via CMAUP database |
| Heraclenol | 73253 | Click to see CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O | 304.29 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| Imperatorin | 10212 | Click to see | 270.28 | unknown |
https://doi.org/10.1002/PCA.1222 https://doi.org/10.1007/BF02974172 https://doi.org/10.1007/BF00563962 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1016/S0039-9140(01)00327-7 https://doi.org/10.1007/BF02974073 https://doi.org/10.1007/BF02975883 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1055/S-2003-39702 https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1248/CPB.38.1084 |
| Isoimperatorin | 68081 | Click to see | 270.28 | unknown |
https://doi.org/10.1007/BF02974172 https://doi.org/10.1007/BF02974073 https://doi.org/10.1055/S-2003-39702 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1016/S0039-9140(01)00327-7 https://doi.org/10.1007/BF02975883 https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1007/BF00563962 https://doi.org/10.1248/BPB.28.380 |
| Isooxypeucedanin | 625383 | Click to see | 286.28 | unknown | via CMAUP database |
| Marmesin | 334704 | Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O | 246.26 | unknown |
https://doi.org/10.1016/J.JEP.2014.07.033 https://doi.org/10.1007/BF00563962 |
| Marmesinin | 216283 | Click to see | 408.40 | unknown | via CMAUP database |
| Nodakenetin | 26305 | Click to see | 246.26 | unknown | https://doi.org/10.1016/J.PHYMED.2016.06.015 |
| Nodakenin | 73191 | Click to see | 408.40 | unknown |
https://doi.org/10.1007/BF00563962 https://doi.org/10.1007/BF02973988 |
| Oxyimperatorin | 182251 | Click to see CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C | 286.28 | unknown | https://doi.org/10.1007/BF00563962 |
| Oxypeucedanin | 33306 | Click to see | 286.28 | unknown | https://doi.org/10.1021/NP960407A |
| Oxypeucedanin hydrate | 17536 | Click to see CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O | 304.29 | unknown |
https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1021/NP960407A |
| Pabulenol | 3009225 | Click to see CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O | 286.28 | unknown |
https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1007/BF02974073 |
| Pangelin | 44144315 | Click to see | 286.28 | unknown | https://doi.org/10.1007/BF02975883 |
| Psoralen | 6199 | Click to see | 186.16 | unknown | https://doi.org/10.1007/BF02975883 |
| Smyrindiol | 92261439 | Click to see CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O | 262.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-hydroxypsoralens | |||||
| Alloisoimperatorin | 5317436 | Click to see | 270.28 | unknown | via CMAUP database |
| Bergaptol | 5280371 | Click to see | 202.16 | unknown |
https://doi.org/10.1055/S-2006-957985 https://doi.org/10.1007/BF00563962 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens | |||||
| (+)-Byakangelicin | 10211 | Click to see | 334.30 | unknown |
https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1007/BF02974073 https://doi.org/10.1248/YAKUSHI1881.58.4_370 https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1002/PCA.1222 https://doi.org/10.1055/S-2003-39702 https://doi.org/10.1007/BF02974172 https://doi.org/10.1007/BF02976709 https://doi.org/10.1021/NP960407A |
| (Rac)-Byakangelicin | 616063 | Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O | 334.30 | unknown |
https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1002/PCA.1222 https://doi.org/10.1248/YAKUSHI1881.58.4_370 https://doi.org/10.1016/S0031-9422(96)00634-6 |
| 8-Hydroxybergapten | 3083726 | Click to see | 232.19 | unknown |
https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1248/BPB.27.1144 https://doi.org/10.1007/BF02974073 |
| 9-(2-Hydroxy-3-Methylbut-3-Enoxy)-4-Methoxyfuro(3,2-G)Chromen-7-One | 616064 | Click to see | 316.30 | unknown |
https://doi.org/10.1248/CPB.38.1084 https://doi.org/10.1007/BF02974073 https://doi.org/10.1016/J.JEP.2004.03.054 |
| 9-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 92468408 | Click to see CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O | 316.30 | unknown | via CMAUP database |
| 9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 163059082 | Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O | 628.60 | unknown | https://doi.org/10.1007/S10600-009-9199-Z |
| 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 5315583 | Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O | 334.30 | unknown |
https://doi.org/10.1248/BPB.28.380 https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1055/S-2002-32075 |
| 9-[[(2S,4R)-5,5-dimethyl-9'-(3-methylbut-2-enoxy)spiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 11017376 | Click to see | 586.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4'-methoxy-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 10886819 | Click to see CC1(C(OC2(O1)C=CC3=C(C4=C(C(=C3O2)OCC(C(C)(C)O)O)OC=C4)OC)COC5=C6C(=C(C7=C5OC(=O)C=C7)OC)C=CO6)C | 650.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| 9-[2-[3-Hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbutan-2-yl]oxy-3-methylbut-3-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 11050454 | Click to see CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC(C)(C)C(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)O | 632.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| 9-[2-Hydroxy-3-[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl]oxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 10985146 | Click to see | 650.60 | unknown | https://doi.org/10.1248/CPB.49.1085 |
| 9-[3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one | 163059081 | Click to see | 628.60 | unknown | https://doi.org/10.1007/S10600-009-9199-Z |
| Bergapten | 2355 | Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 216.19 | unknown |
https://doi.org/10.1021/NP960407A https://doi.org/10.1007/BF00563962 https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1007/BF02975883 https://doi.org/10.1055/S-2006-957985 |
| Byakangelicol | 3055167 | Click to see | 316.30 | unknown |
https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1055/S-2002-32075 https://doi.org/10.1248/YAKUSHI1881.58.4_370 https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1007/BF02974073 |
| Byakangelicol (Biacangelicol) | 616062 | Click to see CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C | 316.30 | unknown |
https://doi.org/10.1248/YAKUSHI1881.58.4_370 https://doi.org/10.1055/S-2002-32075 |
| Isobyakangelicol | 5318521 | Click to see | 316.30 | unknown | via CMAUP database |
| Isodahuribirin A | 102165494 | Click to see | 586.60 | unknown | via CMAUP database |
| Phellopterin | 98608 | Click to see CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C | 300.30 | unknown |
https://doi.org/10.1016/S0031-9422(96)00703-0 https://doi.org/10.1055/S-2003-39702 https://doi.org/10.1016/J.JEP.2004.03.054 https://doi.org/10.1021/NP960407A https://doi.org/10.1007/BF00563962 https://doi.org/10.1016/S0031-9422(96)00634-6 |
| Psoralen, 8-geranyl-5-methoxy- | 6442182 | Click to see CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C | 368.40 | unknown | via CMAUP database |
| Sec-O-acetylbyakangelicin | 44144309 | Click to see CC(=O)OC(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C(C)(C)O | 376.40 | unknown | https://doi.org/10.1021/NP960407A |
| tert-OMe-byakangelicin | 5319537 | Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC | 348.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-hydroxypsoralens | |||||
| 9-Hydroxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | 21826766 | Click to see | 286.28 | unknown | via CMAUP database |
| Alloimperatorin | 69502 | Click to see | 270.28 | unknown | via CMAUP database |
| Xanthotoxol | 65090 | Click to see | 202.16 | unknown |
https://doi.org/10.1016/S0031-9422(96)00634-6 https://doi.org/10.1002/PCA.1222 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens | |||||
| 4-(2-Hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one | 56776189 | Click to see | 316.30 | unknown | via CMAUP database |
| 5-Hydroxy-8-methoxypsoralen | 5385192 | Click to see | 232.19 | unknown | via CMAUP database |
| 8-Methoxypsoralen | 4114 | Click to see | 216.19 | unknown |
https://doi.org/10.1007/BF00563962 https://doi.org/10.1007/BF02975883 |
| 9-Methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | 53398727 | Click to see CC(=CCOC1=CC(=O)OC2=C1C=C3C=COC3=C2OC)C | 300.30 | unknown | via CMAUP database |
| Cnidilin | 821449 | Click to see | 300.30 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| Iso-tert-O-methylbyakangelicin | 102165492 | Click to see | 348.30 | unknown | via CMAUP database |
| Isobyakanglicin | 21826768 | Click to see CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O)O | 334.30 | unknown | via CMAUP database |
| Isopimpinellin | 68079 | Click to see COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC | 246.21 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins | |||||
| Isoscopoletin | 69894 | Click to see | 192.17 | unknown | https://doi.org/10.1016/S0031-9422(96)00634-6 |
| > 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-[(2R)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-3-methylbutyl]-7-hydroxychromen-2-one | 163073714 | Click to see | 558.50 | unknown | https://doi.org/10.1007/S10600-009-9199-Z |
| 6-[2-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-3-methylbutyl]-7-hydroxychromen-2-one | 163073713 | Click to see | 558.50 | unknown | https://doi.org/10.1007/S10600-009-9199-Z |
| 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 | via CMAUP database |
| Osthenol | 5320318 | Click to see | 230.26 | unknown | https://doi.org/10.1002/PCA.1222 |
| Scopoletin | 5280460 | Click to see | 192.17 | unknown |
https://doi.org/10.1016/S0039-9140(01)00327-7 https://doi.org/10.1007/BF02975261 |
| Umbelliferone | 5281426 | Click to see C1=CC(=CC2=C1C=CC(=O)O2)O | 162.14 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins | |||||
| Graveolone | 177751 | Click to see CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C | 244.24 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids | |||||
| Npc158916 | 5320349 | Click to see | 314.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Furanoflavones | |||||
| 2-(3,4-Dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one | 5320355 | Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC)OC | 352.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| Phellatin | 44258781 | Click to see CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O | 534.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids | |||||
| Exoticin | 389000 | Click to see | 462.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Macrolides and analogues | |||||
| Pentadecalactone | 235414 | Click to see | 240.38 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Tannins | |||||
| beta-1,2,3,4,6-Penta-O-galloyl-D-glucopyranose | 446509 | Click to see C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O | 940.70 | unknown | via CMAUP database |
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