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CHEBI:208452 - Hebelomic acid E
| Formula | C38H60O10 |
| Net Charge | 0 |
| Average Mass | 676.888 |
| Monoisotopic Mass | 676.41865 |
| SMILES | CC(=O)O[C@H]1[C@H](OC(=O)CC(C)(O)CC(=O)O)C[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H](C2CC[C@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C38H60O10/c1-21(39)46-31-26(47-30(42)20-35(6,45)19-29(40)41)18-36(7)24-15-17-37(8)23(22-10-13-28(34(4,5)44)48-32(22)43)14-16-38(37,9)25(24)11-12-27(36)33(31,2)3/h22-23,26-28,31-32,43-45H,10-20H2,1-9H3,(H,40,41)/t22?,23-,26-,27?,28-,31+,32-,35?,36-,37-,38+/m1/s1 |
| InChIKey | RVPGLMCNLJJUEA-YYURYFHGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hebeloma senescens (ncbitaxon:246967) | - | DOI (10.1021/np50121a003) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hebelomic acid E (CHEBI:208452) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 5-[[(2R,3R,10S,13R,14R,17R)-3-acetyloxy-17-[(2R,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443749 | ChemSpider |