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CHEBI:226330 - Naphthacemycin B9

ChEBI IDCHEBI:226330
ChEBI NameNaphthacemycin B9
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22Cl2O7
Net Charge0
Average Mass541.383
Monoisotopic Mass540.07426
SMILESCOc1cc(O)c(Cl)c(C)c1-c1cc(O)cc2cc3c(c(O)c12)C(=O)c1c(cc(O)c(Cl)c1O)C3(C)C
InChIInChI=1S/C28H22Cl2O7/c1-10-19(18(37-4)9-17(33)23(10)29)13-7-12(31)5-11-6-14-21(25(34)20(11)13)26(35)22-15(28(14,2)3)8-16(32)24(30)27(22)36/h5-9,31-34,36H,1-4H3
InChIKeyQRMNXGRIXZCTSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32298122)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B9 (CHEBI:226330) is a tetracenes (CHEBI:51270)
IUPAC Name 
3-chloro-7-(3-chloro-4-hydroxy-6-methoxy-2-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
127420982ChemSpider