Salvia miltiorrhiza
Details Top
| Internal ID | UUID643febcd82bc8860129600 |
| Scientific name | Salvia miltiorrhiza |
| Authority | Bunge |
| First published in | Enum. Pl. China Bor. : 50 (1833) |
Ethnobotanical Use Top
Suggest a correction!
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.
Salvia miltiorrhiza, known in Chinese as Danshen, has a long history of use in East Asian traditional medicine. In the Chinese Pharmacopoeia (2020) the dried root is prepared as a decoction or infusion to “tonify the blood, promote circulation, and relieve pain.” Among the Korean herbalists, the root is macerated in alcohol to produce a tincture that is taken for heart and liver disorders (Korean Pharmacopoeia, 2019). Vietnamese practitioners also use a decoction of the root to treat “blood stasis” and to support cardiovascular health (Nguyen et al., 2018). In each culture the root is the primary material; leaves and stems are rarely used medicinally.
A simple, safe preparation is a decoction of 10 g dried root in 200 ml of boiling water. Bring the mixture to a boil, then reduce the heat and simmer for 30 minutes. Strain the liquid, discard the solids, and drink 1–2 cups daily, preferably in the morning. If you are pregnant, nursing, or taking anticoagulant medication, consult a healthcare professional before use, as Danshen can affect blood clotting.
The therapeutic effects of Danshen are largely attributed to its well‑characterized phytochemicals. Tanshinones, especially tanshinone IIA and cryptotanshinone, are lipophilic compounds that have been shown to improve microcirculation and reduce oxidative stress. Hydrophilic salvianolic acids, particularly salvianolic acid B, possess potent antioxidant and anti‑inflammatory properties. These constituents have been isolated from the root and are believed to underlie the herb’s traditional cardiovascular and anti‑pain actions.
Today, Danshen is available as a standardized extract in dietary supplements and is the subject of ongoing clinical research for hypertension, coronary artery disease, and ischemic stroke. Its continued use in traditional practice, combined with modern pharmacological studies, keeps this ancient herb relevant for both practitioners and consumers seeking natural cardiovascular support.
Common names Top
Add a new one! Suggest a correction!| Language | Common/alternative name |
|---|---|
| English | red sage |
| Czech | Šalvěj červenokořenná |
| German | rotwurzel-salbei |
| Finnish | kiinansalvia |
| Japanese | 丹参 |
| Korean | 단삼 |
| lzh | 丹參 |
| Macedonian | Даншен |
| Dutch | rode salie |
| Dutch | chinese salie |
| Thai | ตังเซียม |
| Thai | ตานเซิน |
| Vietnamese | Đan sâm |
| Chinese | 血参根 |
| Chinese | 紫丹參 |
| Chinese | 阴行草 |
| Chinese | 野苏子根 |
| Chinese | 郁蝉草 |
| Chinese | 逐乌 |
| Chinese | 赤丹参 |
| Chinese | 白花丹参 |
| Chinese | 丹参 |
| Chinese | 紫丹参 |
| Chinese | 红根 |
| Chinese | 奔马草 |
| Chinese | 木羊乳 |
| Chinese | 赤参 |
| Chinese | 紫参 |
| Chinese | 血参 |
| Chinese | 长叶丹参 |
| Chinese | 丹參 |
| Chinese | 大红袍 |
| Chinese | 五风花 |
| Chinese | 壬参 |
| Chinese | 夏丹参 |
| Chinese | 大叶活血丹 |
| Chinese | 山参 |
| Chinese | 活血根 |
| Chinese | 烧酒壶根 |
| Chinese | 红丹参 |
| Chinese | 红根红参 |
| Chinese | 红根赤参 |
Varieties (abbr. var.) Top
Add a new one! Suggest a correction!| Name | Authority | First published in |
|---|---|---|
| Salvia miltiorrhiza var. charbonnelii | (Levl.) C.Y.Wu | Fl. Reipubl. Popularis Sin. 66: 148 (1977) |
| Salvia miltiorrhiza var. miltiorrhiza |
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. |
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
-
Asia-temperate click to expand
-
China
- China North-central
- China South-central
- China Southeast
-
Eastern Asia
- Korea
-
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-0000301608 |
| UNII | 714783Y9Z0 |
| Tropicos | 17606684 |
| KEW | urn:lsid:ipni.org:names:456707-1 |
| The Plant List | kew-183206 |
| Open Tree Of Life | 847543 |
| NCBI Taxonomy | 226208 |
| IPNI | 456707-1 |
| iNaturalist | 715830 |
| GBIF | 7308369 |
| Freebase | /m/0fmfy6 |
| EOL | 2894193 |
| USDA GRIN | 402704 |
| Wikipedia | Salvia_miltiorrhiza |
| CMAUP | NPO5743 |
Genomes (via NCBI) Top
Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
If you wish to browse all genomes for this plant click here.
| Accession | Assembly | |||||
|---|---|---|---|---|---|---|
| Name | Level | Submitter | Released | Coverage | Size | |
| GCF_028751815.1 | IMPLAD_Smil_shh | Chromosome | Chinese Academy of Medical Sciences & Peking Union Medical College | 2023-02-24 | 668.96 | 506.37 Mb |
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
If you wish to see all the related articles click here.
Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
You can also contribute to this by clicking here.
| Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
|---|---|---|---|---|---|
| > Benzenoids / Benzene and substituted derivatives / Benzenesulfonamides | |||||
| Glimepiride | 3476 | Click to see CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C | 490.60 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives | |||||
| Protocatechuic Acid | 72 | Click to see | 154.12 | unknown |
https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1039/B009760H https://doi.org/10.1007/BF02575290 |
| > 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 / Cyclohexylphenols | |||||
| 2-(2-Formyl-1,3,3-trimethylcyclohexyl)-3,4-dihydroxy-5-propan-2-ylbenzaldehyde | 163040942 | Click to see | 332.40 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| 2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde | 15102232 | Click to see | 332.40 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| > Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives | |||||
| Isomelitric acid A | 21582559 | Click to see | 538.50 | unknown | via CMAUP database |
| Melitric acid A | 10459878 | Click to see | 538.50 | unknown | via CMAUP database |
| > Benzenoids / Benzene and substituted derivatives / Trifluoromethylbenzenes | |||||
| Fluoxetine | 3386 | Click to see | 309.33 | unknown | via CMAUP database |
| > Benzenoids / Naphthalenes / Naphthols and derivatives | |||||
| [(2S)-4-(1-hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate | 162866413 | Click to see | 300.30 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| [4-(1-Hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate | 11558483 | Click to see CC1=C2C=CC(=C(C2=CC=C1)O)C(=O)CC(C)COC(=O)C | 300.30 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| > Benzenoids / Naphthalenes / Phenylnaphthalenes | |||||
| Salvianolic Acid L | 11765414 | Click to see | 718.60 | unknown | via CMAUP database |
| > Benzenoids / Phenalenes / Phenalenones | |||||
| Salvilenone | 389885 | Click to see | 292.40 | unknown | https://doi.org/10.1016/S0031-9422(00)83136-2 |
| > Benzenoids / Phenanthrenes and derivatives | |||||
| (5S)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene | 133613126 | Click to see | 321.40 | unknown | https://doi.org/10.1021/NP0500934 |
| 5,9,17,17-Tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene | 11347813 | Click to see CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C | 321.40 | unknown | https://doi.org/10.1021/NP0500934 |
| 9,9-dimethyl-3-propan-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),3,5,7,12-pentaene-2,11-dione | 11323834 | Click to see CC(C)C1=CC2=CC=C3C4=C(C(=O)CC3(C)C)NC(=C24)C1=O | 293.40 | unknown | https://doi.org/10.1021/NP0500934 |
| CID 14139389 | 14139389 | Click to see | 272.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1246/BCSJ.64.3422 |
| Dihydroisotanshine II | 75024890 | Click to see | 278.30 | unknown | https://doi.org/10.1021/NP060482D |
| Dihydroisotanshinone Ii | 44425164 | Click to see | 278.30 | unknown | https://doi.org/10.1021/NP060482D |
| Isotanshinone Ii | 44425166 | Click to see | 276.30 | unknown | https://doi.org/10.1021/NP060482D |
| Neosalvianen | 11472648 | Click to see | 319.40 | unknown | https://doi.org/10.1021/NP0500934 |
| Przewalskin | 14139388 | Click to see | 272.40 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1246/BCSJ.64.3422 |
| Salvianan | 102004707 | Click to see CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C | 321.40 | unknown | https://doi.org/10.1021/NP0500934 |
| Salvianen | 11186248 | Click to see | 319.40 | unknown | https://doi.org/10.1021/NP0500934 |
| > Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes | |||||
| 3,4-Phenanthrenequinone | 97313 | Click to see | 208.21 | unknown | via CMAUP database |
| > Benzenoids / Phenanthrenes and derivatives / Phenanthrols | |||||
| 1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione | 5320066 | Click to see | 270.32 | unknown | https://doi.org/10.1016/S0031-9422(99)00433-1 |
| Danshenxinkun C | 5320114 | Click to see | 252.26 | unknown | via CMAUP database |
| > Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids | |||||
| (2S,8R)-2,10,11-trihydroxy-8-methoxy-2,6,7,8-tetrahydro-1H-4-benzazecine-3,5-dione | 162991522 | Click to see | 295.29 | unknown | https://doi.org/10.1016/S0367-326X(00)00248-3 |
| 2,10,11-Trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione | 9971720 | Click to see | 295.29 | unknown | https://doi.org/10.1016/S0367-326X(00)00248-3 |
| > Benzenoids / Phenols / Benzenediols / Catechols | |||||
| (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide | 130619547 | Click to see | 197.19 | unknown | https://doi.org/10.1016/S0367-326X(00)00248-3 |
| 3-(3,4-Dihydroxyphenyl)lactamide | 10035593 | Click to see | 197.19 | unknown | https://doi.org/10.1016/S0367-326X(00)00248-3 |
| Urushiol III | 5281862 | Click to see CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O | 316.50 | unknown | via CMAUP database |
| > Hydrocarbon derivatives / Tropones / Tropolones | |||||
| (1R,9S,11R)-5-hydroxy-6,12,12-trimethyl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2,5,7-trien-4-one | 162914533 | Click to see CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O | 300.40 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| (4aS)-1,2,3,4,4abeta,5,6,11b-Octahydro-9-hydroxy-4,4,8-trimethyl-6alpha,11balpha-(epoxymethano)-10H-cyclohepta[a]naphthalen-10-one | 14657482 | Click to see | 300.40 | unknown |
https://doi.org/10.1246/CL.1990.1599 https://doi.org/10.1246/BCSJ.64.3422 |
| > Hydrocarbons / Saturated hydrocarbons / Alkanes | |||||
| Tritriacontane | 12411 | Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | 464.90 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds | |||||
| (2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid | 10482829 | Click to see | 556.50 | unknown | via CMAUP database |
| > Lignans, neolignans and related compounds / Aryltetralin lignans | |||||
| (2R,3S,4R)-4-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-2,3-dimethyl-3,4-dihydronaphthalen-1-one | 102180985 | Click to see | 386.40 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| > Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans | |||||
| (+)-Nortrachelogenin | 479756 | Click to see | 374.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
| methyl 2-[(1R,4S,5S,6S,9S)-4-acetyl-5,9-dimethyl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]acetate | 16069530 | Click to see | 304.40 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| > Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters | |||||
| Methyl Oleate | 5364509 | Click to see | 296.50 | unknown | via CMAUP database |
| > 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 |
| Eicosanoic Acid | 10467 | Click to see | 312.50 | unknown | via CMAUP database |
| Stearic Acid | 5281 | Click to see | 284.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
| Elaidolinolenic acid | 5282822 | Click to see | 278.40 | unknown | https://doi.org/10.1021/NP980117P |
| Linolenic Acid | 5280934 | Click to see | 278.40 | unknown | https://doi.org/10.1021/NP980117P |
| > Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols / Sulfoquinovosyldiacylglycerols | |||||
| [(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2S)-3-octanoyloxy-2-propanoyloxypropoxy]oxan-2-yl]methanesulfonic acid | 448048 | Click to see | 500.60 | unknown | https://doi.org/10.1021/NP000345V |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids | |||||
| (+)-5-Dehydrosugiol | 14827280 | Click to see CC(C)C1=C(C=C2C(=C1)C(=O)C=C3C2(CCCC3(C)C)C)O | 298.40 | unknown | via CMAUP database |
| (3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone | 11624647 | Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)OC(=O)C)C)O | 358.50 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| (3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol | 11392484 | Click to see | 302.50 | unknown | via CMAUP database |
| (3S)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol | 162988905 | Click to see CC1=CCC2C(CCCC2(C1CCC(C)(C=C)O)C)(C)C | 290.50 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| (4-Hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate | 11720792 | Click to see | 536.80 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| (4aR)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one | 3009284 | Click to see | 314.40 | unknown | https://doi.org/10.1016/S0031-9422(99)00433-1 |
| (4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one | 5321549 | Click to see | 300.40 | unknown | via CMAUP database |
| (5beta)-13-Isopropylpodocarpa-8,11,13-triene | 15558805 | Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C | 270.50 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| (6-hydroxy-1,1,4a-trimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-3-yl) acetate | 73033476 | Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)OC(=O)C)C)O | 358.50 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| (9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one | 15478793 | Click to see CC1CC2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=CC3=O)(C)C)C)O | 328.40 | unknown | via CMAUP database |
| 1,2-Dihydrotanshinquinone | 105119 | Click to see CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C | 278.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-0030-1270933 |
| 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)- | 10039317 | Click to see | 280.40 | unknown | https://doi.org/10.1021/NP060482D |
| 1,6-dimethyl-10,11-dioxo-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde | 101631078 | Click to see | 306.30 | unknown | https://doi.org/10.1055/S-2006-961556 |
| 12-Deoxytanshinquinone B | 15484930 | Click to see | 264.30 | unknown | https://doi.org/10.1021/NP060482D |
| 5-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol | 15923775 | Click to see | 290.50 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| 6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one | 275529 | Click to see | 300.40 | unknown |
https://doi.org/10.1021/JO00298A029 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| 6-Hydroxy-5,6-dehydrosugiol | 78297419 | Click to see | 314.40 | unknown | https://doi.org/10.1016/S0031-9422(99)00433-1 |
| Abieta-9(11),8(14),12-trien-12-ol | 521330 | Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O | 286.50 | unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0031-9422(86)88014-1 |
| Abietatriene | 6432211 | Click to see | 270.50 | unknown | via CMAUP database |
| Arucadiol | 11011966 | Click to see CC(C)C1=C(C(=C2C(=C1)C=CC3=C2C(=O)CCC3(C)C)O)O | 298.40 | unknown |
https://doi.org/10.1021/JO00298A029 https://doi.org/10.1016/J.BMC.2011.06.067 |
| cis-Ferruginol | 91747538 | Click to see | 286.50 | unknown |
https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0031-9422(86)88014-1 |
| Danshenxinkun D | 127172 | Click to see | 336.40 | unknown | via CMAUP database |
| Dehydroabietane | 86869 | Click to see | 270.50 | unknown | https://doi.org/10.1246/BCSJ.64.3422 |
| Dehydrotanshinone II A | 128994 | Click to see | 292.30 | unknown | via CMAUP database |
| Ferruginol | 442027 | Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O | 286.50 | unknown |
https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1016/S0031-9422(00)86969-1 |
| Mandarone A | 182295 | Click to see | 314.40 | unknown | via CMAUP database |
| Mandarone C | 15478794 | Click to see CC1=CC2=C(C3=C(C(=C2O1)O)C4(CC=CC(C4=CC3=O)(C)C)C)O | 324.40 | unknown | via CMAUP database |
| Salvinone | 130233 | Click to see CC(=O)C1=C(C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O | 268.30 | unknown | https://doi.org/10.1055/S-2006-962037 |
| Salviol | 13966146 | Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O | 302.50 | unknown | via CMAUP database |
| Sibiriquinone B | 9971020 | Click to see CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2CCCC3(C)C | 282.40 | unknown | https://doi.org/10.1021/NP060482D |
| Sugiol | 94162 | Click to see | 300.40 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tanshinones, isotanshinones, and derivatives | |||||
| (+/-)-Tanshindiol A | 5321619 | Click to see | 312.30 | unknown |
https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| (1R)-1-Methyl-6-methylidene-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione | 102004770 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C | 280.30 | unknown | via CMAUP database |
| (1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione | 25181389 | Click to see CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C | 298.40 | unknown | via CMAUP database |
| (1R)-5-hydroxy-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-10,11-dione | 5319836 | Click to see | 312.40 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| (4R)-4-hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-4H-phenanthrene-3,5-dione | 162875967 | Click to see | 298.40 | unknown | https://doi.org/10.1055/S-0030-1270933 |
| (6R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | 5321621 | Click to see | 312.30 | unknown |
https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| (6S)-6-hydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione | 101493016 | Click to see | 298.30 | unknown | via CMAUP database |
| (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro(1,2-b)furan-10,11-dione | 11056055 | Click to see | 312.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| (8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione | 14414396 | Click to see | 278.30 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| (8S)-4,4,8-trimethyl-2,3,8,9-tetrahydro-1H-naphtho(2,1-f)(1)benzofuran-7,11-dione | 101603194 | Click to see | 296.40 | unknown | https://doi.org/10.1248/BPB.28.1795 |
| (8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione | 11778300 | Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C | 278.30 | unknown | https://doi.org/10.1248/BPB.28.1795 |
| (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione | 9926694 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO | 310.30 | unknown | https://doi.org/10.1055/S-2006-957696 |
| 1-hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione | 389888 | Click to see | 314.40 | unknown | via CMAUP database |
| 1-hydroxy-2-((2S)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione | 44425165 | Click to see | 314.40 | unknown |
https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1021/NP50050A004 |
| 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione | 184103 | Click to see CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O | 314.40 | unknown |
https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1016/S0031-9422(00)95156-2 |
| 1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8-methylphenanthrene-3,4-dione | 98054351 | Click to see | 296.30 | unknown | https://doi.org/10.1055/S-2006-960094 |
| 1-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione | 5319835 | Click to see CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O)O | 312.40 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| 1-Oxomiltirone | 9971798 | Click to see | 296.40 | unknown |
https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1055/S-0030-1270933 |
| 1,2-Didehydrocryptotanshinone | 102004793 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C | 294.30 | unknown | via CMAUP database |
| 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde | 5321618 | Click to see | 308.30 | unknown | via CMAUP database |
| 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione | 496348 | Click to see | 296.40 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1016/J.EJPHAR.2006.07.038 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1021/NP800119K https://doi.org/10.1055/S-2006-961824 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032829/ https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2917475/ https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1021/JM040112R https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0031-9422(99)00433-1 https://doi.org/10.1039/C39870001311 https://doi.org/10.1021/NP0500934 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1248/BPB.26.845 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1021/JF00020A007 |
| 1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione | 85086900 | Click to see | 310.30 | unknown | via CMAUP database |
| 10,11-Dihydro-1-methyl-10,11-dioxophenanthro(1,2-b)furan-6-carbaldehyde | 14609847 | Click to see | 290.30 | unknown | https://doi.org/10.1021/JO00298A029 |
| 15,16-Dihydrotanshindiol B | 102004773 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O | 314.30 | unknown | via CMAUP database |
| 15,16-Dihydrotanshindiol C | 102004772 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O | 314.30 | unknown | via CMAUP database |
| 2-Isopropyl-8-methylphenanthrene-3,4-dione | 135872 | Click to see | 264.30 | unknown | https://doi.org/10.1248/CPB.31.1670 |
| 3-Hydroxycyptotanshinone | 101493015 | Click to see | 312.40 | unknown | via CMAUP database |
| 3-Hydroxymethylenetanshinquinone | 92288941 | Click to see | 294.30 | unknown | via CMAUP database |
| 3-Hydroxytanshinone | 5318350 | Click to see | 310.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| 3-Hydroxytanshinone IIB | 101493014 | Click to see | 326.30 | unknown | via CMAUP database |
| 6,6-dihydroxy-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | 5320219 | Click to see | 298.29 | unknown | via CMAUP database |
| 6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | 14376773 | Click to see | 312.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| 7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | 14610643 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O | 310.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| 8-Methyl-2-propan-2-yl-5,6-dihydrophenanthrene-3,4-dione | 14828180 | Click to see | 266.30 | unknown | via CMAUP database |
| 8-Methyl-3,4-dioxo-2-propan-2-ylphenanthrene-1-carboxylic acid | 101493017 | Click to see | 308.30 | unknown | https://doi.org/10.1021/JF00020A007 |
| 8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione | 14609851 | Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O | 266.30 | unknown | https://doi.org/10.1021/JO00298A029 |
| 8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione | 89406 | Click to see | 278.30 | unknown |
https://doi.org/10.1248/BPB.28.1795 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| Cryptotanshinone | 160254 | Click to see | 296.40 | unknown |
https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1016/J.EJPHAR.2006.07.038 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1039/C39870001311 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1021/NP0500934 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1248/BPB.26.845 https://doi.org/10.1021/JF00020A007 |
| Danshenol A | 3083514 | Click to see | 336.40 | unknown |
https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1248/CPB.45.1306 |
| Danshenol B | 3083515 | Click to see | 354.40 | unknown |
https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1248/CPB.45.1306 |
| Danshenol C | 11688609 | Click to see CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O | 336.40 | unknown | via CMAUP database |
| Danshenxinkun A | 149138 | Click to see | 296.30 | unknown |
https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1021/NP50050A004 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2006-960094 |
| Danshenxinkun B | 5320113 | Click to see | 280.30 | unknown |
https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1016/0031-9422(89)80294-8 |
| Dehydromiltirone | 3082765 | Click to see | 280.40 | unknown |
https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| Deoxyneocryptotanshinone | 15690458 | Click to see | 298.40 | unknown | https://doi.org/10.1016/S0031-9422(99)00433-1 |
| Dihydrotanshinone | 5316743 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C | 278.30 | unknown |
https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-832615 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/NP060482D https://doi.org/10.1021/NP900792P |
| Dihydrotanshinone I | 11425923 | Click to see | 278.30 | unknown |
https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1021/NP060482D https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-832615 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1021/NP900792P https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.45.1306 |
| Hydroxymethylenetanshinquinone | 134165 | Click to see | 294.30 | unknown | https://doi.org/10.1055/S-2006-957696 |
| Hydroxymethylenetanshiquinone | 5318290 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4=C)O | 294.30 | unknown | https://doi.org/10.1055/S-2006-957696 |
| Hydroxytanshinone IIA | 5318349 | Click to see | 310.30 | unknown | via CMAUP database |
| Isocryptotanshinone | 626608 | Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C | 296.40 | unknown | https://doi.org/10.1248/BPB.28.1795 |
| Isotanshinone I | 623940 | Click to see | 276.30 | unknown | via CMAUP database |
| Isotanshinone IIA | 626354 | Click to see | 294.30 | unknown |
https://doi.org/10.1248/BPB.28.1795 https://doi.org/10.1021/NP060482D |
| Methuyl tanshinonate | 624381 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC | 338.40 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1021/NP060482D |
| methyl (6R)-1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate | 14610612 | Click to see | 338.40 | unknown | https://doi.org/10.1021/NP060482D |
| methyl (6S)-1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carboxylate | 101493018 | Click to see | 340.40 | unknown | via CMAUP database |
| Methyl Tanshinonate | 14610613 | Click to see | 338.40 | unknown |
https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1021/NP060482D https://doi.org/10.1055/S-0030-1270933 |
| Methylenetanshinquinone | 105118 | Click to see | 278.30 | unknown |
https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.3023 |
| Miltipolone | 10086184 | Click to see | 300.40 | unknown | https://doi.org/10.1246/CL.1990.1599 |
| Miltirone | 160142 | Click to see | 282.40 | unknown |
https://doi.org/10.1055/S-2006-962037 https://doi.org/10.1021/JF00020A007 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.BMC.2011.06.067 |
| Monodydroxytanshinone I | 101493019 | Click to see | 292.30 | unknown | via CMAUP database |
| Nortanshinone | 10062187 | Click to see | 280.27 | unknown | https://doi.org/10.1016/S0031-9422(00)84900-6 |
| Npc137542 | 14610644 | Click to see | 310.30 | unknown | via CMAUP database |
| Npc36184 | 5321622 | Click to see | 292.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| Npc85771 | 622085 | Click to see | 292.30 | unknown | via CMAUP database |
| Oleoyl danshenxinkun A | 10415411 | Click to see | 560.80 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| Oleoyl neocryptotanshinone | 10483308 | Click to see | 578.80 | unknown | via CMAUP database |
| Phenanthro(3,2-b)furan-7,11-dione, 1,2,3,4-tetrahydro-4-(hydroxymethyl)-4,8-dimethyl- | 184102 | Click to see | 310.30 | unknown | via CMAUP database |
| Przewaquinone A | 619402 | Click to see | 310.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1081/JLC-120020109 https://doi.org/10.1055/S-2006-957696 |
| Przewaquinone C | 56967683 | Click to see | 296.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 |
| Salviolone | 10355691 | Click to see | 268.30 | unknown |
https://doi.org/10.1246/CL.1989.1021 https://doi.org/10.1246/CL.1990.1599 https://doi.org/10.1246/BCSJ.64.3422 |
| Tanshinaldehyde | 124268 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O | 310.30 | unknown | via CMAUP database |
| Tanshindiol A | 16730071 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O | 312.30 | unknown |
https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| Tanshindiol B | 5321620 | Click to see | 312.30 | unknown |
https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| Tanshindiol C | 126072 | Click to see | 312.30 | unknown |
https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7 |
| Tanshinol B | 126071 | Click to see | 296.30 | unknown |
https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-2006-957601 |
| Tanshinone I | 114917 | Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C | 276.30 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1021/NP50078A014 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1248/YAKUSHI1881.54.9_844 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1007/978-3-030-24716-4_4 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1248/BPB.31.501 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1021/JM040112R https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0031-9422(99)00433-1 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.4195 |
| Tanshinone IIA | 164676 | Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C | 294.30 | unknown |
https://doi.org/10.1016/J.LFS.2008.07.011 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/J.BCP.2003.12.031 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4003002/ https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1002/PMIC.200900178 https://doi.org/10.1021/JF00095A007 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2290784/ https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.3109/13880209.2015.1005753 https://doi.org/10.1016/0165-1218(83)90182-9 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1248/YAKUSHI1881.54.9_844 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1007/978-3-030-24716-4_4 https://doi.org/10.1021/NP800119K https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2917475/ https://doi.org/10.1055/S-2006-960839 https://doi.org/10.3892/IJMM_00000291 https://doi.org/10.1002/PTR.2542 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1021/JM040112R https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0021-9673(97)01087-X https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1021/NP0500934 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/0165-6147(83)90367-X https://doi.org/10.1021/JF00020A007 |
| Tanshinone Iia Sulfonate | 23669322 | Click to see | 396.40 | unknown | via CMAUP database |
| Tanshinone Iib | 318797 | Click to see | 310.30 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1002/PTR.2404 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1021/JF00095A007 |
| Trijuganone B | 124416 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C | 280.30 | unknown | via CMAUP database |
| Trijuganone C | 164381 | Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC | 340.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives | |||||
| [(1S,2S,5S,8R,9R,10R)-2,9-diacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate | 10097180 | Click to see | 492.60 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives | |||||
| [(1S,7S)-6-acetyloxy-4-(3-methylbutanoyloxymethyl)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 4-methylpentanoate | 5316745 | Click to see | 438.50 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols | |||||
| DL-alpha-Tocopherol | 2116 | Click to see | 430.70 | unknown | via CMAUP database |
| Vitamin E | 14985 | Click to see | 430.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids | |||||
| (4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one | 10353347 | Click to see | 218.33 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
| Dehydrosoyasaponin I | 656760 | Click to see | 941.10 | unknown | via CMAUP database |
| Mimengoside B | 54586748 | Click to see | 1105.30 | unknown | via CMAUP database |
| Soyasaponin I | 122097 | Click to see | 943.10 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
| [15-(Acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-methylprop-2-enoate | 163027043 | Click to see | 490.50 | unknown | https://doi.org/10.1021/NP000345V |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones | |||||
| (1R,8S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one | 6324890 | Click to see | 330.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Quassinoids | |||||
| 9-Hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione | 4482273 | Click to see | 330.30 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones | |||||
| [(1R,3aR,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate | 16745519 | Click to see CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C | 306.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives | |||||
| (3aR,4S,6E,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one | 10333019 | Click to see CC1=CCCC(=CC2C(C(C1)O)C(=C)C(=O)O2)CO | 264.32 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls | |||||
| Cryptoxanthin | 5281235 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C | 552.90 | unknown | via CMAUP database |
| Lutein 5,6-epoxide | 5281244 | Click to see | 584.90 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
| (+)-Ursolic Acid | 64945 | Click to see | 456.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 45358157 | Click to see | 456.70 | unknown | via CMAUP database |
| (1R,2S,4S,5'R,6R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol | 54740428 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 | 416.60 | unknown | via CMAUP database |
| (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | 45483617 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | 456.70 | unknown | via CMAUP database |
| (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol | 102484853 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C | 442.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol | 102484852 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C)C | 442.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| (3S,4R,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol | 21119301 | Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C | 458.70 | unknown | via CMAUP database |
| 2,3-Dihydroxy-12-oleanen-28-oic acid | 3694932 | Click to see | 472.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| 3-Epioleanolic acid | 11869658 | Click to see | 456.70 | unknown | via CMAUP database |
| 3-Hydroxyolean-12-en-28-oic acid | 619166 | Click to see | 456.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Beta-Amyrin | 73145 | Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C | 426.70 | unknown | via CMAUP database |
| Betulinic Acid | 64971 | Click to see | 456.70 | unknown | via CMAUP database |
| Colosolic acid | 15917996 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O | 472.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Corosolic Acid | 6918774 | Click to see | 472.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Friedelin | 91472 | Click to see | 426.70 | unknown | via CMAUP database |
| Lupeol | 259846 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
| Maslinic Acid | 73659 | Click to see | 472.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Neotigogenin | 12304433 | Click to see | 416.60 | unknown | via CMAUP database |
| Olean-12-ene-3,24-diol | 14167252 | Click to see | 442.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Oleanolic Acid | 10494 | Click to see | 456.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| Sophoradiol | 9846221 | Click to see | 442.70 | unknown | via CMAUP database |
| Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- | 220774 | Click to see | 456.70 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins | |||||
| (3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione | 10649544 | Click to see | 516.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives | |||||
| cycloart-23Z-ene-3beta,25-diol | 101690746 | Click to see | 442.70 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxasteroids and derivatives / Tanshinlactones and derivatives | |||||
| Neo-tanshinlactone | 10264769 | Click to see | 264.27 | unknown | https://doi.org/10.1021/JM040112R |
| Tanshinlactone | 5321617 | Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C | 264.27 | unknown | https://doi.org/10.1248/CPB.34.3166 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxosteroids / 11-oxosteroids | |||||
| (6S)-6-hydroxy-1-(hydroxymethyl)-6-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione | 101493020 | Click to see | 314.30 | unknown | via CMAUP database |
| 17-Hydroxycryptotanshinone | 23252570 | Click to see CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OCC4CO)C | 312.40 | unknown | via CMAUP database |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides | |||||
| (2S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione | 44139738 | Click to see | 564.70 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides | |||||
| [22-(2-Hydroxypropan-2-yl)-1,5,10,10-tetramethyl-11-(3,4,5-trihydroxyoxan-2-yl)oxy-21,25-dioxaheptacyclo[20.2.1.02,19.05,19.06,16.09,14.014,16]pentacosan-3-yl] acetate | 85360387 | Click to see CC(=O)OC1CC2(C3CCC4C(C(CCC45C3(C5)CCC26C1C7(CCC(O7)(OC6)C(C)(C)O)C)OC8C(C(C(CO8)O)O)O)(C)C)C | 662.80 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| > Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
| (-)-beta-Sitosterol | 222284 | Click to see | 414.70 | unknown | via CMAUP database |
| (-)-Clerosterol | 5283638 | Click to see | 412.70 | 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 |
| (3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-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 | 636741 | Click to see | 414.70 | unknown | via CMAUP database |
| 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 122544 | Click to see | 412.70 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 86821 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | via CMAUP database |
| 22-Dehydroclerosterol | 15608667 | Click to see | 410.70 | 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 | via CMAUP database |
| Stigmasterol | 5280794 | Click to see | 412.70 | unknown | https://doi.org/10.1016/0031-9422(89)80294-8 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters | |||||
| 3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide | 495284 | Click to see | 292.29 | unknown |
https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)95156-2 |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides | |||||
| Ac-Nle-Asp(1)-His-Phe-Arg-Trp-Lys(1)-NH2 | 10534061 | Click to see CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C | 1024.20 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives | |||||
| CID 21952380 | 21952380 | Click to see | 118.09 | unknown | via CMAUP database |
| > Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives | |||||
| (1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid | 10531154 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(C(C(C2C(=O)O)C(=O)O)C3=CC(=C(C=C3)O)O)C(=O)O)O)O | 572.50 | unknown | via CMAUP database |
| > Organic acids and derivatives / Peptidomimetics / Depsipeptides | |||||
| methyl (2S)-1-[(2S,3S)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(5S)-5-methoxydec-9-ynoyl]-methylamino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carboxylate | 162918929 | Click to see | 862.10 | unknown | https://doi.org/10.1021/NP000345V |
| > Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides | |||||
| CB-182348 | 139587374 | Click to see | 1612.70 | unknown | https://doi.org/10.1021/NP000345V |
| > 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 |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds | |||||
| beta-D-Fructofuranoside, ethyl | 11769694 | Click to see | 208.21 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds | |||||
| Ethyl glucoside, alpha- | 9815668 | Click to see | 208.21 | unknown | via CMAUP database |
| Sucrose | 5988 | Click to see | 342.30 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides | |||||
| Salviaflaside | 6438919 | Click to see | 522.50 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses | |||||
| Beta-D-Glucose | 64689 | Click to see | 180.16 | unknown | via CMAUP database |
| Grape sugar | 79025 | 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 / Carbonyl compounds / Aldehydes / Aryl-aldehydes | |||||
| 5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde | 86063753 | Click to see | 139.15 | unknown | https://doi.org/10.1021/NP0500934 |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes | |||||
| 3,4-Dihydroxybenzaldehyde | 8768 | Click to see | 138.12 | unknown |
https://doi.org/10.1007/BF02575290 https://doi.org/10.1021/JF980088O https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1248/CPB.53.508 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1039/B009760H |
| > Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
| Daphneolon | 5316300 | Click to see | 270.32 | unknown | via CMAUP database |
| > Organic oxygen compounds / Organooxygen compounds / Ketene acetals | |||||
| (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate | 53338995 | Click to see C(=C(N)[O-])C=C(N)[O-] | 114.10 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzodioxanes / Phenylbenzodioxanes / Phenylbenzo-1,4-dioxanes | |||||
| (2R,3R)-6-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid | 24177556 | Click to see | 538.50 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzofurans | |||||
| Dehydrotremetone | 324281 | Click to see CC(=C)C1=CC2=C(O1)C=CC(=C2)C(=O)C | 200.23 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Benzoxepines | |||||
| 6,13-Dimethyl-15,18-dioxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),2,4,6,8,12(16)-hexaene-11,17-dione | 162935089 | Click to see | 294.30 | unknown | https://doi.org/10.1002/JCCS.199600029 |
| > Organoheterocyclic compounds / Benzoxepines / Dibenzoxepines | |||||
| (12R)-4,5,17-trihydroxy-11-oxo-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12-carboxylic acid | 154497410 | Click to see | 340.30 | unknown | https://doi.org/10.1016/S0031-9422(01)00415-0 |
| isosalvianolic acid C | 44566967 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=CC4=CC(=C(C=C4OC3=C(C=C2)O)O)O)O)O | 492.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Heteroaromatic compounds | |||||
| (E)-4-[5-(Hydroxymethyl)-2-furanyl]-3-butene-2-one | 24861973 | Click to see CC(=O)C=CC1=CC=C(O1)CO | 166.17 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| 4-[5-(hydroxymethyl)-2-furanyl]-3-Buten-2-one | 66936256 | Click to see | 166.17 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| > Organoheterocyclic compounds / Imidazopyridines / Imidazopyridinones | |||||
| 3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one | 11804937 | Click to see CC1=CN=C2N1CCCC2=O | 150.18 | unknown | https://doi.org/10.1021/NP000345V |
| > Organoheterocyclic compounds / Imidolactams | |||||
| 1,3-Oxazol-4-amine | 21655019 | Click to see | 84.08 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Indoles and derivatives | |||||
| 4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene | 5319776 | Click to see | 331.40 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines | |||||
| 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol | 45358120 | Click to see | 624.80 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Lactones / Delta valerolactones | |||||
| Delta-Valerolactone | 10953 | Click to see | 100.12 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Naphthofurans | |||||
| (3R,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one | 13965477 | Click to see | 268.31 | unknown | https://doi.org/10.1246/CL.1990.1885 |
| (3R,4'R)-4',6,6-Trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one | 131675977 | Click to see | 286.40 | unknown | https://doi.org/10.1246/CL.1990.1885 |
| (3S,4'S)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one | 13965479 | Click to see | 268.31 | unknown | https://doi.org/10.1016/0031-9422(88)80638-1 |
| 4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one | 5316298 | Click to see | 268.31 | unknown |
https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/0031-9422(88)80638-1 |
| CID 56932940 | 56932940 | Click to see | 556.60 | unknown | via CMAUP database |
| Cryptoacetalide | 46896125 | Click to see CC1CC2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1 | 286.40 | unknown |
https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1246/BCSJ.64.3422 |
| Danshinspiroketallactone | 56956598 | Click to see | 268.31 | unknown | https://doi.org/10.1246/CL.1990.1885 |
| Epi-Cryptoacetalide | 14705488 | Click to see | 286.40 | unknown |
https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1246/BCSJ.64.3422 |
| Epidanshenspiroketallactone | 102004791 | Click to see | 268.31 | unknown |
https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1016/0031-9422(88)80638-1 |
| > Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones | |||||
| (13R)-6,13-dimethyl-15,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-11,16-dione | 162991142 | Click to see | 294.30 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| Jkxngdlzomuebl-uhfffaoysa- | 11687935 | Click to see | 294.30 | unknown | https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 |
| > Organoheterocyclic compounds / Pteridines and derivatives | |||||
| 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione | 6325373 | Click to see C1=C(N=C2C(=N1)NC(=O)NC2=O)CO | 194.15 | unknown | via CMAUP database |
| > Organoheterocyclic compounds / Quinolidines | |||||
| CID 25084349 | 25084349 | Click to see CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C | 391.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
| (+)-Lithospermic acid | 6123454 | Click to see | 538.50 | unknown | via CMAUP database |
| (2R)-2-({(2E)-3-[(2R,3R)-3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid | 6441188 | Click to see | 718.60 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1159/000453151 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4899783/ https://doi.org/10.1142/S0192415X08005795 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2881190/ https://doi.org/10.1016/J.PHYMED.2006.11.002 https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1021/NP50055A023 https://doi.org/10.3109/13880209.2015.1008148 https://doi.org/10.1248/BPB.31.501 https://doi.org/10.1016/S0021-9673(01)01441-8 https://doi.org/10.1016/J.EJPHAR.2016.09.014 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2849633/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5009695/ |
| (2R)-2-[(E)-3-[(2S,3S)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 13991587 | Click to see | 718.60 | unknown | via CMAUP database |
| (2R)-2-[(E)-3-[(3S)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 45358152 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | 718.60 | unknown | via CMAUP database |
| (2R)-2-[(E)-3-[3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 13991589 | Click to see | 718.60 | unknown | via CMAUP database |
| (2R)-2-[3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid | 92132738 | Click to see | 718.60 | unknown |
https://doi.org/10.1016/J.PHYMED.2006.11.002 https://doi.org/10.3109/13880209.2015.1008148 https://doi.org/10.1016/S0021-9673(01)01441-8 https://doi.org/10.1021/NP50055A023 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ |
| (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid | 98789388 | Click to see | 552.50 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| (2S,3S)-4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid | 95359683 | Click to see | 538.50 | unknown |
https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1211/146080899128734893 |
| (2S)-2-[(E)-3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 50914802 | Click to see | 718.60 | unknown | via CMAUP database |
| (2S)-2-[3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid | 71433917 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | 718.60 | unknown | via CMAUP database |
| (R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid | 11629084 | Click to see | 718.60 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5057235/ |
| 2-((2S,3S)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzo[b]furan-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid | 6449855 | Click to see | 718.60 | unknown | via CMAUP database |
| 2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid | 56677421 | Click to see | 720.60 | unknown | via CMAUP database |
| 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid | 5319877 | Click to see | 552.50 | unknown | via CMAUP database |
| 3-(3,4-Dihydroxyphenyl)-2-[3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]propanoic acid | 73817569 | Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O | 552.50 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| 4-[(E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid | 5281302 | Click to see | 538.50 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1002/RCM.3023 |
| 4-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid | 4482010 | Click to see | 538.50 | unknown | via CMAUP database |
| Dimethyl Lithospermate | 70688393 | Click to see | 566.50 | unknown | https://doi.org/10.1016/S0031-9422(01)00415-0 |
| Lithospermic Acid | 6441498 | Click to see | 538.50 | unknown | via CMAUP database |
| magnesium;4-[(2R)-2-carboxy-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3-hydroxy-4-oxidophenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxyethyl]-2-hydroxyphenolate | 101822127 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)[O-])O)C(=O)O)O)[O-].[Mg+2] | 740.90 | unknown | via CMAUP database |
| methyl (2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate | 163190756 | Click to see | 566.50 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| Methyl 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate | 73817570 | Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)OC)O)C4=CC(=C(C=C4)O)O | 566.50 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| Salvianic acid B | 119177 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | 718.60 | unknown |
https://doi.org/10.1016/J.LFS.2004.02.034 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2881190/ https://doi.org/10.1007/S11655-016-2645-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2849633/ |
| Salvianolic Acid B | 6451084 | Click to see | 718.60 | unknown |
https://doi.org/10.1211/146080899128734893 https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1016/J.LFS.2004.02.034 https://doi.org/10.1055/S-2006-957596 https://doi.org/10.1021/JF980088O https://doi.org/10.1021/NP50108A020 https://doi.org/10.1016/0306-3623(94)90011-6 https://doi.org/10.1016/0306-3623(93)90176-X |
| Salvianolic acid C | 13991590 | Click to see | 492.40 | unknown | https://doi.org/10.1021/NP50055A023 |
| Salvianolic acid C [M+H]+ | 5321087 | Click to see | 492.40 | unknown |
https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1021/NP50055A023 |
| XH-14 | 6709746 | Click to see | 356.40 | unknown | https://doi.org/10.1016/S0040-4039(00)78908-8 |
| > Phenylpropanoids and polyketides / Anthracyclines | |||||
| Nocardicyclin A | 3075728 | Click to see | 585.60 | unknown |
https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.JCHROMB.2006.08.002 |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters | |||||
| [(2R,3R,4S,5R,6R)-3-acetyloxy-5-hydroxy-2-[[(1R,2R,4R,5R,6S,10R)-2-(hydroxymethyl)-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate | 162966308 | Click to see | 710.70 | unknown | https://doi.org/10.1021/NP000345V |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
| (S)-Rosmarinic acid | 639655 | Click to see | 360.30 | unknown |
https://doi.org/10.1248/CPB.37.1287 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ |
| 3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid | 5099 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 360.30 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1248/CPB.37.1287 |
| Ferulate | 54691413 | Click to see | 193.18 | unknown | via CMAUP database |
| Methyl 3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate | 76511959 | Click to see | 374.30 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| Methyl Rosmarinate | 6479915 | Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O | 374.30 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| Rosmarinate | 5315615 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | 360.30 | unknown | via CMAUP database |
| Rosmarinic Acid | 5281792 | Click to see | 360.30 | unknown |
https://doi.org/10.1021/NP50055A023 https://doi.org/10.1248/CPB.57.586 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1021/JF980088O https://doi.org/10.1211/146080899128734893 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP50108A020 https://doi.org/10.1248/CPB.37.1287 https://doi.org/10.1142/S0192415X08005795 |
| Rosmarinic Acid Methyl Ester | 3012090 | Click to see | 374.30 | unknown | https://doi.org/10.1248/CPB.37.1287 |
| Salvianolic acid D | 75412558 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O | 418.30 | unknown |
https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1055/S-2006-961428 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ |
| Salvianolicacid D | 73060756 | Click to see | 418.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
| 3-(3,4-Dihydroxyphenyl)prop-2-enoate | 54710367 | Click to see | 179.15 | unknown | via CMAUP database |
| 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid | 2518 | Click to see | 180.16 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ |
| Caffeic Acid | 689043 | Click to see | 180.16 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1211/146080899128734893 https://doi.org/10.1142/S0192415X08005795 |
| 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 |
| Isoferulic Acid | 736186 | Click to see | 194.18 | unknown |
https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1055/S-2006-961428 |
| > Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens | |||||
| Isoimperatorin | 68081 | Click to see | 270.28 | unknown | https://doi.org/10.2210/PDB5YLW/PDB |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins | |||||
| (-)-Catechol | 73160 | Click to see | 290.27 | unknown | via CMAUP database |
| 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | 1203 | Click to see | 290.27 | unknown | via CMAUP database |
| Catechin | 9064 | Click to see | 290.27 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols | |||||
| (2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | 98049813 | Click to see | 304.25 | unknown | via CMAUP database |
| Aromadendrin | 122850 | Click to see C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | 288.25 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
| Luteolin | 5280445 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | 286.24 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
| Kaempferol | 5280863 | Click to see | 286.24 | unknown | via CMAUP database |
| Quercetin | 5280343 | Click to see | 302.23 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides | |||||
| Isoorientin | 114776 | Click to see | 448.40 | unknown | via CMAUP database |
| Isoscoparin | 442611 | Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O | 462.40 | unknown | via CMAUP database |
| Isovitexin | 162350 | Click to see | 432.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides | |||||
| Isoschaftoside | 3084995 | Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O | 564.50 | unknown | via CMAUP database |
| Orientin | 5281675 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
| Schaftoside | 442658 | Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O | 564.50 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides | |||||
| (3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 44258403 | Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O | 446.40 | unknown | via CMAUP database |
| Baicalin | 64982 | Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O | 446.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides | |||||
| 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one | 53399169 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O | 610.50 | unknown | via CMAUP database |
| Astragalin | 5282102 | Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O | 448.40 | unknown | via CMAUP database |
| Isoquercetin | 5280804 | Click to see | 464.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
| [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate | 162819283 | Click to see | 562.50 | unknown | https://doi.org/10.1021/NP000345V |
| 5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | 21676296 | Click to see | 786.70 | unknown | https://doi.org/10.1021/NP060482D |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids | |||||
| Chrysoeriol | 5280666 | Click to see | 300.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids | |||||
| 5,3'-Dihydroxy-7,4'-dimethoxyflavanone | 139074584 | Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O | 316.30 | unknown | https://doi.org/10.1016/S0031-9422(01)00415-0 |
| Salvigenin | 161271 | Click to see | 328.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids | |||||
| 5-Hydroxy-2',3',7,8-tetramethoxyflavone | 5319878 | Click to see COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC | 358.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans | |||||
| 3,9-Dihydroxypterocarpan | 162933 | Click to see C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O | 256.25 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones | |||||
| 1,3,8-Trihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one | 15126297 | Click to see | 314.25 | unknown | via CMAUP database |
| 2'-Hydroxygenistein | 5282074 | Click to see C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O | 286.24 | unknown | via CMAUP database |
| 9-methoxy-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one | 10435021 | Click to see | 474.40 | unknown | https://doi.org/10.1021/NP060482D |
| Genistein | 5280961 | Click to see | 270.24 | unknown | via CMAUP database |
| Lupinalbin A | 5324349 | Click to see | 284.22 | unknown | via CMAUP database |
| Orobol | 5281801 | Click to see C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O | 286.24 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 8-prenylated isoflavanones | |||||
| 5,7-Dihydroxy-6,8-bis(3-methylbut-2-enyl)-3-(2,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one | 10478410 | Click to see | 440.50 | unknown | https://doi.org/10.1002/HLCA.201000154 |
| > Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides | |||||
| Ambocin | 5491738 | Click to see | 564.50 | unknown | via CMAUP database |
| Daidzein 7-O-apiosyl-(1->6)-glucoside | 20055730 | Click to see | 548.50 | unknown | via CMAUP database |
| Genistin | 5281377 | Click to see | 432.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 3-O-methylated isoflavonoids / 3-O-methylisoflavones | |||||
| 3'-Methoxydaidzein | 5319422 | Click to see COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O | 284.26 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids | |||||
| (3S)-3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one | 92143157 | Click to see | 316.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones | |||||
| Formononetin | 5280378 | Click to see | 268.26 | unknown | via CMAUP database |
| Panchovillin | 21676203 | Click to see | 344.30 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Macrolides and analogues | |||||
| (4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione | 12315046 | Click to see | 353.40 | unknown | via CMAUP database |
| Anhydrodebromoaplysiatoxin | 2195 | Click to see | 574.70 | unknown | https://doi.org/10.1021/NP060482D |
| > Phenylpropanoids and polyketides / Phenylpropanoic acids | |||||
| (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate | 25202033 | Click to see | 197.16 | unknown | via CMAUP database |
| 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid | 439435 | Click to see | 198.17 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/BPB.31.501 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O |
| Benzenepropanoic acid, alpha,3,4-trihydroxy-, (aS)- | 179536 | Click to see | 198.17 | unknown | https://doi.org/10.1248/CPB.53.508 |
| C9H9NaO5 | 101781900 | Click to see | 220.15 | unknown | via CMAUP database |
| Danshensu | 11600642 | Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)O | 198.17 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ |
| sodium 4-[(2R)-2-carboxy-2-hydroxyethyl]-2-hydroxyphenolate | 102398267 | Click to see | 220.15 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Stilbenes | |||||
| (2R)-2-[(E)-3-[2-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-4,5-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 163105121 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)O)O | 718.60 | unknown | https://doi.org/10.1016/S0031-9422(01)00415-0 |
| (2R)-2-[(E)-3-[2-[(Z)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 134714969 | Click to see | 718.60 | unknown | https://doi.org/10.1055/S-2006-961428 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid | 29927682 | Click to see | 494.40 | unknown | https://doi.org/10.1211/JPP.58.7.0008 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid | 9913656 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O | 494.40 | unknown | via CMAUP database |
| 2-[(Z)-3-[2-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 102120844 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O | 718.60 | unknown | via CMAUP database |
| 3-(3,4-Dihydroxyphenyl)-2-[3-[2-[2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyloxy]propanoic acid | 502233 | Click to see | 494.40 | unknown | https://doi.org/10.1211/JPP.58.7.0008 |
| Salvianolic acid A | 5281793 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O | 494.40 | unknown |
https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1142/S0192415X08005795 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1055/S-2007-969684 |
| Salvianolic acid E | 86278266 | Click to see | 718.60 | unknown | via CMAUP database |
| salvianolic acid F | 10903113 | Click to see C1=CC(=C(C=C1C=CC2=C(C=CC(=C2O)O)C=CC(=O)O)O)O | 314.29 | unknown | https://doi.org/10.1016/S0031-9422(01)00415-0 |
| Salvianolicacid A | 6124301 | Click to see | 494.40 | unknown | via CMAUP database |
| > Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins | |||||
| [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoate | 101676662 | Click to see C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)OC1C(OC(C(C1O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O | 1571.10 | unknown | https://doi.org/10.1016/S0031-9422(99)00433-1 |
| Protocatechuic acid 3-glucoside | 11972438 | Click to see C1=CC(=C(C=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O | 316.26 | unknown | via CMAUP database |
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