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CHEBI:225322 - Carbonarin J

ChEBI IDCHEBI:225322
ChEBI NameCarbonarin J
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FormulaC34H29NO9
Net Charge0
Average Mass595.604
Monoisotopic Mass595.18423
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3cc(C4=C(Cc5ccc(O)c(OC)c5)CNC4=O)ccc3O)c2c1
InChIInChI=1S/C34H29NO9/c1-16-9-25(38)31-32(39)30-22(13-20(41-2)14-27(30)43-4)29(33(31)44-16)21-12-18(6-8-23(21)36)28-19(15-35-34(28)40)10-17-5-7-24(37)26(11-17)42-3/h5-9,11-14,36-37,39H,10,15H2,1-4H3,(H,35,40)
InChIKeyPXVHMBYUIBUMBP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25944531)
ChEBI Ontology
Outgoing Relation(s)
Carbonarin J (CHEBI:225322) is a organic heterotricyclic compound (CHEBI:26979)
Carbonarin J (CHEBI:225322) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[4-hydroxy-3-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)phenyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2-dihydropyrrol-5-one
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