EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226161 - Naphthacemycin A4

ChEBI IDCHEBI:226161
ChEBI NameNaphthacemycin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H23ClO8
Net Charge0
Average Mass534.948
Monoisotopic Mass534.10815
SMILESCOc1cc(-c2c(C)cc(O)cc2OC)c2c(c1Cl)C(=O)C1=C(C(=O)c3c(O)cc(O)cc3C1(C)C)C2=O
InChIInChI=1S/C29H23ClO8/c1-11-6-12(31)9-17(37-4)19(11)14-10-18(38-5)25(30)22-20(14)26(34)23-24(28(22)36)29(2,3)15-7-13(32)8-16(33)21(15)27(23)35/h6-10,31-33H,1-5H3
InChIKeySIHMTOJVROFUNY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin A4 (CHEBI:226161) is a quinone (CHEBI:36141)
Naphthacemycin A4 (CHEBI:226161) is a tetracenes (CHEBI:51270)
IUPAC Name 
10-chloro-2,4-dihydroxy-7-(4-hydroxy-2-methoxy-6-methylphenyl)-9-methoxy-12,12-dimethyltetracene-5,6,11-trione
Manual XrefsDatabases
78435207ChemSpider