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CHEBI:201102 - 8'-O-demethylnigerone

ChEBI IDCHEBI:201102
ChEBI Name8'-O-demethylnigerone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O10
Net Charge0
Average Mass556.523
Monoisotopic Mass556.13695
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(=O)cc(OC)c4c(O)c4c(O)cc(C)oc34)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-18(33)26-28(35)22-16(8-14(32)9-20(22)38-4)24(30(26)40-12)25-17-10-15(37-3)11-21(39-5)23(17)29(36)27-19(34)7-13(2)41-31(25)27/h6-11,33,35-36H,1-5H3
InChIKeyOYYJLLGUBCSGDS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (18205129)
ChEBI Ontology
Outgoing Relation(s)
8'-O-demethylnigerone (CHEBI:201102) is a organic heterotricyclic compound (CHEBI:26979)
8'-O-demethylnigerone (CHEBI:201102) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
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78435596ChemSpider