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CHEBI:192905 - Tragopogonsaponin M
| Formula | C51H76O16 |
| Net Charge | 0 |
| Average Mass | 945.153 |
| Monoisotopic Mass | 944.51334 |
| SMILES | COc1cc(CCC(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)ccc1O |
| InChI | InChI=1S/C51H76O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(55)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)56)45(61)67-44-42(65-37(57)14-10-26-9-12-29(53)31(21-26)62-8)41(30(54)25-63-44)66-43-40(60)39(59)38(58)32(24-52)64-43/h9,11-12,21,28,30,32-36,38-44,52-56,58-60H,10,13-20,22-25H2,1-8H3 |
| InChIKey | ZIEJINKTIDWSTF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cryptomeria (ncbitaxon:3368) | needle (BTO:0000917) | MetaboLights (MTBLS4099) | Strain: Cryptomeria fortunei Hooibrenk |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tragopogonsaponin M (CHEBI:192905) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [5-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037929 | HMDB |