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CHEBI:201923 - Daedaleanic acid A
| Formula | C31H46O4 |
| Net Charge | 0 |
| Average Mass | 482.705 |
| Monoisotopic Mass | 482.33961 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CC[C@]12C)C(C)C |
| InChI | InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1 |
| InChIKey | MFOKWUZMHJXWFI-ZKBPDDLLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daedalea dickinsii (ncbitaxon:157706) | - | PubMed (15974617) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Daedaleanic acid A (CHEBI:201923) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| (2R)-2-[(2R,3R,3aR,9bR)-2-hydroxy-3a,7,9b-trimethyl-6-(4-methyl-3-oxopentyl)-2,3,4,5-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9354254 | ChemSpider |