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CHEBI:226140 - Naphthacemycin C2

ChEBI IDCHEBI:226140
ChEBI NameNaphthacemycin C2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H31ClO9
Net Charge0
Average Mass607.055
Monoisotopic Mass606.16566
SMILESCOc1cc2c(c(-c3c(C)cc(OC)c(Cl)c3OC)c1)C(O)=C1C(=O)c3c(O)cc(O)cc3C(C)(C)C1(CC(C)=O)C2=O
InChIInChI=1S/C33H31ClO9/c1-14-8-22(42-6)27(34)30(43-7)23(14)18-11-17(41-5)12-19-24(18)28(38)26-29(39)25-20(9-16(36)10-21(25)37)32(3,4)33(26,31(19)40)13-15(2)35/h8-12,36-38H,13H2,1-7H3
InChIKeyWHAQJIMGNIEYFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin C2 (CHEBI:226140) is a quinone (CHEBI:36141)
Naphthacemycin C2 (CHEBI:226140) is a tetracenes (CHEBI:51270)
IUPAC Name 
1-(3-chloro-2,4-dimethoxy-6-methylphenyl)-8,10,12-trihydroxy-3-methoxy-6,6-dimethyl-5a-(2-oxopropyl)tetracene-5,11-dione
Manual XrefsDatabases
78435203ChemSpider