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CHEBI:215141 - Piptolinic acid E
| Formula | C30H44O5 |
| Net Charge | 0 |
| Average Mass | 484.677 |
| Monoisotopic Mass | 484.31887 |
| SMILES | CC(C)(O)/C=C/C[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |
| InChI | InChI=1S/C30H44O5/c1-26(2,35)14-8-9-18(25(33)34)24-21(31)17-30(7)20-10-11-22-27(3,4)23(32)13-15-28(22,5)19(20)12-16-29(24,30)6/h8,10,12,14,18,21-22,24,31,35H,9,11,13,15-17H2,1-7H3,(H,33,34)/b14-8+/t18-,21-,22+,24+,28-,29-,30+/m1/s1 |
| InChIKey | ISGRMNPUIMBAKG-MHFFIKEUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis betulina (ncbitaxon:40450) | - | PubMed (28800422) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Piptolinic acid E (CHEBI:215141) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,2R)-6-hydroxy-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-4-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442166 | ChemSpider |