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CHEBI:199062 - Aurantinin A
| Formula | C38H52O8 |
| Net Charge | 0 |
| Average Mass | 636.826 |
| Monoisotopic Mass | 636.36622 |
| SMILES | CC1=CC2C(O)C(C)CCC2C2C(=O)OC(=O)/C(C)=C3/CC(O)C(C)/C3=C/2C1/C=C/C=C/C=C(\C)CC(C)CC(O)C(C)C(=O)O |
| InChI | InChI=1S/C38H52O8/c1-19(15-20(2)16-30(39)25(7)36(42)43)11-9-8-10-12-26-22(4)17-29-27(14-13-21(3)35(29)41)34-33(26)32-24(6)31(40)18-28(32)23(5)37(44)46-38(34)45/h8-12,17,20-21,24-27,29-31,34-35,39-41H,13-16,18H2,1-7H3,(H,42,43)/b9-8+,12-10+,19-11+,28-23-,33-32- |
| InChIKey | RPAJEXJBXAMICD-BBUGLFKUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bacillus (ncbitaxon:1386) | - | DOI (10.1021/jo00246a059) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aurantinin A (CHEBI:199062) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (7E,9E,11E)-12-[(1Z,6Z)-4,16-dihydroxy-3,7,15,19-tetramethyl-8,10-dioxo-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-3-hydroxy-2,5,7-trimethyldodeca-7,9,11-trienoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443900 | ChemSpider |