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CHEBI:215128 - Piptolinic acid B
| Formula | C31H48O4 |
| Net Charge | 0 |
| Average Mass | 484.721 |
| Monoisotopic Mass | 484.35526 |
| SMILES | C=C(CC[C@@H](C(=O)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC3)C(C)C |
| InChI | InChI=1S/C31H48O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h19,22-24H,3,5,9-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24?,29+,30-,31+/m1/s1 |
| InChIKey | LLMXBZDIOIJCEF-GOCHJLPOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis betulina (ncbitaxon:40450) | - | PubMed (28800422) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Piptolinic acid B (CHEBI:215128) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442164 | ChemSpider |