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CHEBI:226198 - Naphthacemycin C1

ChEBI IDCHEBI:226198
ChEBI NameNaphthacemycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H29ClO9
Net Charge0
Average Mass593.028
Monoisotopic Mass592.15001
SMILESCOc1cc(-c2c(C)cc(O)cc2OC)c2c(c1Cl)C(=O)C1(CC(C)=O)C(=C2O)C(=O)c2c(O)cc(O)cc2C1(C)C
InChIInChI=1S/C32H29ClO9/c1-13-7-15(35)10-20(41-5)22(13)17-11-21(42-6)27(33)25-23(17)28(38)26-29(39)24-18(8-16(36)9-19(24)37)31(3,4)32(26,30(25)40)12-14(2)34/h7-11,35-38H,12H2,1-6H3
InChIKeyROQDGGUXWYFNFP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin C1 (CHEBI:226198) is a quinone (CHEBI:36141)
Naphthacemycin C1 (CHEBI:226198) is a tetracenes (CHEBI:51270)
IUPAC Name 
4-chloro-8,10,12-trihydroxy-1-(4-hydroxy-2-methoxy-6-methylphenyl)-3-methoxy-6,6-dimethyl-5a-(2-oxopropyl)tetracene-5,11-dione
Manual XrefsDatabases
78435214ChemSpider