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CHEBI:226135 - Naphthacemycin B3

ChEBI IDCHEBI:226135
ChEBI NameNaphthacemycin B3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H23ClO7
Net Charge0
Average Mass506.938
Monoisotopic Mass506.11323
SMILESCOc1c(Cl)c(O)cc(C)c1-c1cc(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3(C)C
InChIInChI=1S/C28H23ClO7/c1-11-5-19(33)24(29)27(36-4)20(11)15-8-13(30)6-12-7-16-23(25(34)21(12)15)26(35)22-17(28(16,2)3)9-14(31)10-18(22)32/h5-10,30-34H,1-4H3
InChIKeyJSQPKFKMYXXEPC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B3 (CHEBI:226135) is a tetracenes (CHEBI:51270)
IUPAC Name 
7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
78435202ChemSpider