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CHEBI:216708 - Officimalonic acid A
| Formula | C34H50O9 |
| Net Charge | 0 |
| Average Mass | 602.765 |
| Monoisotopic Mass | 602.34548 |
| SMILES | CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C(=O)[C@@]4(C[C@@H](O)[C@]23C)[C@@H](O)C[C@H]2C(C)(C)[C@H](OC(=O)CC(=O)O)CC[C@@]24C)OC1=O |
| InChI | InChI=1S/C34H50O9/c1-17(13-21-18(2)19(3)28(40)42-21)20-9-11-32(7)29(41)34(16-24(36)33(20,32)8)23(35)14-22-30(4,5)25(10-12-31(22,34)6)43-27(39)15-26(37)38/h17,20-25,35-36H,9-16H2,1-8H3,(H,37,38)/t17-,20-,21+,22+,23+,24-,25-,31+,32+,33+,34-/m1/s1 |
| InChIKey | UDBAOVMCUDEARR-WEEUIZGTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (27216472) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officimalonic acid A (CHEBI:216708) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3-[(1R,2S,3'R,3aR,3'aR,4'R,5R,7aS,7'aR)-3'-[(2R)-1-[(2S)-3,4-dimethyl-5-oxo-2H-uran-2-yl]propan-2-yl]-2,4'-dihydroxy-3'a,4,4,7a,7'a-pentamethyl-7'-oxospiro[2,3,3a,5,6,7-hexahydroindene-1,6'-2,3,4,5-tetrahydro-1H-indene]-5-yl]oxy-3-oxopropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443402 | ChemSpider |