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CHEBI:205520 - 6'-O-demethylnigerone

ChEBI IDCHEBI:205520
ChEBI Name6'-O-demethylnigerone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O10
Net Charge0
Average Mass556.523
Monoisotopic Mass556.13695
SMILESCOc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(OC)cc(OC)c4c(O)c4c(=O)cc(C)oc34)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-18(32)26-28(35)22-16(8-14(37-3)10-20(22)34)24(30(26)40-12)25-17-9-15(38-4)11-21(39-5)23(17)29(36)27-19(33)7-13(2)41-31(25)27/h6-11,34-36H,1-5H3
InChIKeyYPBKRWIKGTUGIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - DOI (10.1039/p19800002474)
ChEBI Ontology
Outgoing Relation(s)
6'-O-demethylnigerone (CHEBI:205520) is a organic heterotricyclic compound (CHEBI:26979)
6'-O-demethylnigerone (CHEBI:205520) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
5,6-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8-methoxy-2-methylbenzo[g]chromen-4-one
Manual XrefsDatabases
HMDB0033497HMDB
30777013ChemSpider