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CHEBI:226317 - Naphthacemycin B13

ChEBI IDCHEBI:226317
ChEBI NameNaphthacemycin B13
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H19Cl5O7
Net Charge0
Average Mass644.718
Monoisotopic Mass641.95734
SMILESCOc1c(Cl)c(O)c(Cl)c(C)c1-c1cc(O)c(Cl)c2cc3c(c(O)c12)C(=O)c1c(O)c(Cl)c(O)c(Cl)c1C3(C)C
InChIInChI=1S/C28H19Cl5O7/c1-7-12(27(40-4)21(33)25(38)17(7)29)8-6-11(34)18(30)9-5-10-14(22(35)13(8)9)23(36)15-16(28(10,2)3)19(31)26(39)20(32)24(15)37/h5-6,34-35,37-39H,1-4H3
InChIKeyYLKIGAKGYRJIBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32298122)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B13 (CHEBI:226317) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,3,10-trichloro-7-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
128721355ChemSpider