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CHEBI:226311 - Naphthacemycin B12

ChEBI IDCHEBI:226311
ChEBI NameNaphthacemycin B12
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H20Cl4O7
Net Charge0
Average Mass610.273
Monoisotopic Mass607.99631
SMILESCOc1cc(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/C28H20Cl4O7/c1-8-15(14(39-4)7-13(34)20(8)29)9-6-12(33)21(30)10-5-11-17(24(35)16(9)10)25(36)18-19(28(11,2)3)22(31)27(38)23(32)26(18)37/h5-7,33-35,37-38H,1-4H3
InChIKeyQNNHIHSQZLVNFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32298122)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B12 (CHEBI:226311) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,3,10-trichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
127419336ChemSpider