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CHEBI:168363 - Ganolucidic acid E
| Formula | C30H44O5 |
| Net Charge | 0 |
| Average Mass | 484.677 |
| Monoisotopic Mass | 484.31887 |
| SMILES | [H][C@@]12CCC3=C(C(=O)C[C@]4(C)[C@@]([H])([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C |
| InChI | InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,20-,22+,24+,28+,29-,30-/m1/s1 |
| InChIKey | XRBLVCACUHPHDE-NKRIBODASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganolucidic acid E (CHEBI:168363) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 28646244 | ChemSpider |