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CHEBI:166842 - 3-Acetyl-11-keto-beta-boswellic acid
| Formula | C32H48O5 |
| Net Charge | 0 |
| Average Mass | 512.731 |
| Monoisotopic Mass | 512.35017 |
| SMILES | [H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@@]3(C)CC[C@@]3(C)CC[C@@H](C)[C@H](C)[C@@]43[H])[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(=O)O |
| InChI | InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1 |
| InChIKey | HMMGKOVEOFBCAU-BCDBGHSCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Citrobacter freundii (ncbitaxon:546) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Enterobacter ludwigii (ncbitaxon:299767) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Klebsiella oxytoca (ncbitaxon:571) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Pseudomonas protegens (ncbitaxon:380021) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Serratia plymuthica (ncbitaxon:82996) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Sphingobacterium faecium (ncbitaxon:34087) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) | |
| Stenotrophomonas maltophilia (ncbitaxon:40324) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS2074) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Acetyl-11-keto-beta-boswellic acid (CHEBI:166842) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid |
| Registry Numbers | Sources |
|---|---|
| CAS:67416-61-9 | ChemIDplus |