EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:228850 - Alpha-Boswellic acid
| Formula | C30H48O3 |
| Net Charge | 0 |
| Average Mass | 456.711 |
| Monoisotopic Mass | 456.36035 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey | BZXULBWGROURAF-IKNLXHIFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zea mays (ncbitaxon:4577) | exometabolome | MetaboLights (MTBLS8903) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alpha-Boswellic acid (CHEBI:228850) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 552872 | ChemSpider |