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CHEBI:199492 - Pinicolic acid E
| Formula | C30H46O4 |
| Net Charge | 0 |
| Average Mass | 470.694 |
| Monoisotopic Mass | 470.33961 |
| SMILES | CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C30H46O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,22-23,25,31H,8,10-17H2,1-7H3,(H,33,34)/t19-,22-,23+,25+,28-,29-,30+/m1/s1 |
| InChIKey | PKWORMXMWBDULM-MVQHSHHOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeophyllum odoratum (ncbitaxon:139427) | - | DOI (10.1016/s0031-9422(00)00165-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pinicolic acid E (CHEBI:199492) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442478 | ChemSpider |