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CHEBI:228000 - (1'S,2'S,3'S,4'R,5'R)-andicoquinone B
| Formula | C27H26O8 |
| Net Charge | 0 |
| Average Mass | 478.497 |
| Monoisotopic Mass | 478.16277 |
| SMILES | CO[C@@H]1[C@H](Oc2cccc3c2C(=O)c2c(cc4cc(C)ccc4c2O)C3=O)O[C@H](C)[C@@H](O)[C@]1(C)O |
| InChI | InChI=1S/C27H26O8/c1-12-8-9-15-14(10-12)11-17-20(22(15)29)23(30)19-16(21(17)28)6-5-7-18(19)35-26-25(33-4)27(3,32)24(31)13(2)34-26/h5-11,13,24-26,29,31-32H,1-4H3/t13-,24-,25-,26+,27+/m1/s1 |
| InChIKey | BMXQXHLVYFAAIW-JBYCLQRVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.1016/j.phytol.2019.01.031) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1'S,2'S,3'S,4'R,5'R)-andicoquinone B (CHEBI:228000) is a quinone (CHEBI:36141) |
| (1'S,2'S,3'S,4'R,5'R)-andicoquinone B (CHEBI:228000) is a tetracenes (CHEBI:51270) |
| IUPAC Name |
|---|
| 1-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-8-methyltetracene-5,12-dione |
| Manual Xrefs | Databases |
|---|---|
| 71360636 | ChemSpider |