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CHEBI:198471 - Officinalic acid
| Formula | C30H44O6 |
| Net Charge | 0 |
| Average Mass | 500.676 |
| Monoisotopic Mass | 500.31379 |
| SMILES | CC1(C)CCC[C@]2(C)[C@H]3C(=O)O[C@@]45C[C@H]6C(C)(C)CCC[C@]6(C)[C@@H](C(=O)O)[C@@H]4CC[C@@]3(O5)C(=O)C[C@@H]12 |
| InChI | InChI=1S/C30H44O6/c1-25(2)10-8-13-28(6)18(25)15-20(31)29-14-9-17-21(23(32)33)27(5)12-7-11-26(3,4)19(27)16-30(17,36-29)35-24(34)22(28)29/h17-19,21-22H,7-16H2,1-6H3,(H,32,33)/t17-,18-,19-,21+,22+,27-,28-,29+,30+/m0/s1 |
| InChIKey | ODGNNLIOBJLXBP-KCXSSTEISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | DOI (10.1021/ja00504a053) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officinalic acid (CHEBI:198471) is a organic heterotricyclic compound (CHEBI:26979) |
| Officinalic acid (CHEBI:198471) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1S,3S,8S,9S,10S,13S,16S,21S,22R)-4,4,8,17,17,21-hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosane-9-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8752719 | ChemSpider |