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CHEBI:220567 - Wexrubicin

ChEBI IDCHEBI:220567
ChEBI NameWexrubicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24O12
Net Charge0
Average Mass540.477
Monoisotopic Mass540.12678
SMILESCC(=O)c1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(O)cc1C3=O
InChIInChI=1S/C27H24O12/c1-8-17(9(2)29)15(38-27-26(37)25(36)22(33)16(7-28)39-27)4-10-3-12-20(23(34)18(8)10)24(35)19-13(21(12)32)5-11(30)6-14(19)31/h3-6,16,22,25-28,30-31,33-34,36-37H,7H2,1-2H3/t16-,22+,25+,26-,27+/m0/s1
InChIKeyAQNAWNBUNCOLHR-RHRCEOOFSA-N
Species of MetaboliteComponentSourceComments
Blautia wexlerae DSM 19850 (ncbitaxon:1121115) - PubMed (31582523)
ChEBI Ontology
Outgoing Relation(s)
Wexrubicin (CHEBI:220567) is a quinone (CHEBI:36141)
Wexrubicin (CHEBI:220567) is a tetracenes (CHEBI:51270)