EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:206768 - Poricoic acid K
| Formula | C31H48O7 |
| Net Charge | 0 |
| Average Mass | 532.718 |
| Monoisotopic Mass | 532.34000 |
| SMILES | C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CC[C@](O)(CO)C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O |
| InChI | InChI=1S/C31H48O7/c1-18(2)21-8-9-23-22(28(21,5)13-12-25(34)35)11-14-29(6)26(24(33)16-30(23,29)7)20(27(36)37)10-15-31(38,17-32)19(3)4/h9,11,19-21,24,26,32-33,38H,1,8,10,12-17H2,2-7H3,(H,34,35)(H,36,37)/t20-,21+,24-,26+,28+,29-,30+,31+/m1/s1 |
| InChIKey | AXNJVXGKPWGROB-XIILMWTLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | PubMed (31180673) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Poricoic acid K (CHEBI:206768) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R,5R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-5-hydroxy-5-(hydroxymethyl)-6-methylheptanoic acid |