EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H34O9 |
| Net Charge | 0 |
| Average Mass | 490.549 |
| Monoisotopic Mass | 490.22028 |
| SMILES | C=C(C)[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O |
| InChI | InChI=1S/C26H34O9/c1-13(2)23-19(33-15(4)27)12-25(6)20(10-17-18(35-25)9-14(3)32-24(17)30)26(23,7)21(34-16(5)28)11-22(29)31-8/h9,19-21,23H,1,10-12H2,2-8H3/t19-,20+,21+,23-,25-,26+/m1/s1 |
| InChIKey | YXSFOIHUGDEKQU-LUNSLZPNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus versicolor (ncbitaxon:46472) | - | PubMed (29882867) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Asperversin C (CHEBI:213578) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl (3S)-3-[(5aR,7R,8S,9S,9aR)-7-acetyloxy-3,5a,9-trimethyl-1-oxo-8-prop-1-en-2-yl-7,8,9a,10-tetrahydro-6H-pyrano[4,3-b]chromen-9-yl]-3-acetyloxypropanoate |
| Manual Xrefs | Databases |
|---|---|
| 71049003 | ChemSpider |