EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199855 - Bischloroanthrabenzoxocinone

ChEBI IDCHEBI:199855
ChEBI NameBischloroanthrabenzoxocinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24Cl2O7
Net Charge0
Average Mass543.399
Monoisotopic Mass542.08991
SMILESCOc1cc(C)c2c(c1)OC1(C)Cc3cc4c(c(O)c3C2O1)C(=O)c1c(O)c(Cl)c(O)c(Cl)c1C4(C)C
InChIInChI=1S/C28H24Cl2O7/c1-10-6-12(35-5)8-14-15(10)26-16-11(9-28(4,36-14)37-26)7-13-17(22(16)31)23(32)18-19(27(13,2)3)20(29)25(34)21(30)24(18)33/h6-8,26,31,33-34H,9H2,1-5H3
InChIKeyZGJMIZXNGYVIRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (16180833)
ChEBI Ontology
Outgoing Relation(s)
Bischloroanthrabenzoxocinone (CHEBI:199855) is a organic heterotricyclic compound (CHEBI:26979)
Bischloroanthrabenzoxocinone (CHEBI:199855) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
8,10-dichloro-3,7,9-trihydroxy-21-methoxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.02,15.04,13.06,11.019,24]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one
Manual XrefsDatabases
9752254ChemSpider