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CHEBI:206458 - (24E)-3,4-seco-cucurbita-4,24-diene-26,29-dioic acid-3-methyl ester
| Formula | C31H48O6 |
| Net Charge | 0 |
| Average Mass | 516.719 |
| Monoisotopic Mass | 516.34509 |
| SMILES | COC(=O)CC[C@@H]1C(=C(C)C(=O)O)CCC2[C@]3(C)CC[C@H](C(C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@]21C |
| InChI | InChI=1S/C31H48O6/c1-19(9-8-10-20(2)27(33)34)23-15-16-31(6)25-13-11-22(21(3)28(35)36)24(12-14-26(32)37-7)29(25,4)17-18-30(23,31)5/h10,19,23-25H,8-9,11-18H2,1-7H3,(H,33,34)(H,35,36)/b20-10+,22-21?/t19?,23-,24-,25?,29+,30-,31+/m1/s1 |
| InChIKey | GADHXAAUEPUWOY-SCFLWNJASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Russula vinosa (ncbitaxon:176830) | - | PubMed (30987109) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24E)-3,4-seco-cucurbita-4,24-diene-26,29-dioic acid-3-methyl ester (CHEBI:206458) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E)-6-[(3R,3aR,5aS,6S,9bS)-7-(1-carboxyethylidene)-6-(3-methoxy-3-oxopropyl)-3a,5a,9b-trimethyl-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid |