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CHEBI:226191 - Naphthacemycin B4

ChEBI IDCHEBI:226191
ChEBI NameNaphthacemycin B4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H23ClO7
Net Charge0
Average Mass506.938
Monoisotopic Mass506.11323
SMILESCOc1cc(O)cc(C)c1-c1cc(O)c(Cl)c2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3(C)C
InChIInChI=1S/C28H23ClO7/c1-11-5-12(30)8-20(36-4)21(11)14-10-19(33)25(29)15-9-17-24(26(34)22(14)15)27(35)23-16(28(17,2)3)6-13(31)7-18(23)32/h5-10,30-34H,1-4H3
InChIKeyIKQYPKWMBSNODQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B4 (CHEBI:226191) is a tetracenes (CHEBI:51270)
IUPAC Name 
10-chloro-2,4,6,9-tetrahydroxy-7-(4-hydroxy-2-methoxy-6-methylphenyl)-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
78435213ChemSpider