EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199214 - Asperpyrone A

ChEBI IDCHEBI:199214
ChEBI NameAsperpyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O10
Net Charge0
Average Mass556.523
Monoisotopic Mass556.13695
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)c4c(cc(O)c5c(O)cc(C)oc54)cc3=O)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-17(32)25-19(34)8-14-9-20(35)26(29(39-5)22(14)30(25)40-12)24-16-10-15(37-3)11-21(38-4)23(16)28(36)27-18(33)7-13(2)41-31(24)27/h6-11,32,34,36H,1-5H3
InChIKeyURHOXQWBGQQUMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (12542363)
ChEBI Ontology
Outgoing Relation(s)
Asperpyrone A (CHEBI:199214) is a organic heterotricyclic compound (CHEBI:26979)
Asperpyrone A (CHEBI:199214) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4,5-dihydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-10-methoxy-2-methylbenzo[h]chromen-8-one
Manual XrefsDatabases
78434632ChemSpider