EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C36H58O10 |
| Net Charge | 0 |
| Average Mass | 650.850 |
| Monoisotopic Mass | 650.40300 |
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O |
| InChI | InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44) |
| InChIKey | JAJHTUPNVRLALX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lucyoside N (CHEBI:176279) is a triterpenoid saponin (CHEBI:61778) |
| IUPAC Name |
|---|
| 3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041040 | HMDB |