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CHEBI:201026 - Isonigerone

ChEBI IDCHEBI:201026
ChEBI NameIsonigerone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26O10
Net Charge0
Average Mass570.550
Monoisotopic Mass570.15260
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)c4c(=O)cc(C)oc4c4c(OC)cc(OC)cc34)c2c1
InChIInChI=1S/C32H26O10/c1-13-7-20(34)28-30(36)25(18-10-16(38-4)12-22(40-6)24(18)31(28)41-13)26-17-9-15(37-3)11-21(39-5)23(17)29(35)27-19(33)8-14(2)42-32(26)27/h7-12,35-36H,1-6H3
InChIKeyCQWZRVPFGYDTKI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - DOI (10.1039/p19800002474)
ChEBI Ontology
Outgoing Relation(s)
Isonigerone (CHEBI:201026) is a organic heterotricyclic compound (CHEBI:26979)
Isonigerone (CHEBI:201026) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
5-hydroxy-6-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
Manual XrefsDatabases
HMDB0033498HMDB
30777012ChemSpider