EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:224664 - 2,3-didehydro-19alpha-hydroxy-14-epicochlioquinone B
| Formula | C28H38O7 |
| Net Charge | 0 |
| Average Mass | 486.605 |
| Monoisotopic Mass | 486.26175 |
| SMILES | C/C=C(\C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)C[C@H](O)[C@]4(C)[C@H]3C2)C1=O |
| InChI | InChI=1S/C28H38O7/c1-8-14(2)23(31)15(3)16-11-18(29)17-12-19-27(6,35-25(17)24(16)32)10-9-21-28(19,7)20(30)13-22(34-21)26(4,5)33/h8,11,15,19-22,30,33H,9-10,12-13H2,1-7H3/b14-8+/t15-,19-,20-,21+,22+,27-,28-/m0/s1 |
| InChIKey | GWQYUHGJJNBHJP-RLGURTFRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nigrosporaspecies MA75 (ncbitaxon:993141) | - | PubMed (22782879) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-didehydro-19alpha-hydroxy-14-epicochlioquinone B (CHEBI:224664) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| (1S,3R,4aR,6aS,12aR,12bS)-1-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(E,2S)-4-methyl-3-oxohex-4-en-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione |
| Manual Xrefs | Databases |
|---|---|
| 29214813 | ChemSpider |