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CHEBI:214745 - Dimethyl poricoate F
| Formula | C31H46O6 |
| Net Charge | 0 |
| Average Mass | 514.703 |
| Monoisotopic Mass | 514.32944 |
| SMILES | C=C(CCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)CO)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C |
| InChI | InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChIKey | RBBCMULWYWYPHY-KGXQETAESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | DOI (10.1016/0031-9422(95)00110-s) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dimethyl poricoate F (CHEBI:214745) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442639 | ChemSpider |