EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H22O11 |
| Net Charge | 0 |
| Average Mass | 570.506 |
| Monoisotopic Mass | 570.11621 |
| SMILES | CC(=O)O[C@H]1c2cc(C)cc(O)c2C(=O)[C@@]2(O)C(=O)[C@H]3C=C[C@@]12Cc1cc2oc4ccc(O)c(O)c4c(=O)c2c(O)c13 |
| InChI | InChI=1S/C31H22O11/c1-11-7-15-21(17(34)8-11)28(39)31(40)27(38)14-5-6-30(31,29(15)41-12(2)32)10-13-9-19-23(25(36)20(13)14)26(37)22-18(42-19)4-3-16(33)24(22)35/h3-9,14,29,33-36,40H,10H2,1-2H3/t14-,29-,30+,31-/m0/s1 |
| InChIKey | KWGNWEQVHFANMQ-VACYWLGUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Verticillium (ncbitaxon:1036719) | - | DOI (10.1016/j.tet.2016.01.043) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acremoxanthone G (CHEBI:210646) is a xanthones (CHEBI:51149) |
| IUPAC Name |
|---|
| [(1S,17S,19S,27S)-10,11,15,19,22-pentahydroxy-24-methyl-13,18,20-trioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),7(12),8,10,15,21(26),22,24,28-decaen-27-yl] acetate |