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CHEBI:227543 - Carbonarin I

ChEBI IDCHEBI:227543
ChEBI NameCarbonarin I
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FormulaC34H31NO10
Net Charge0
Average Mass613.619
Monoisotopic Mass613.19480
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4cc(C5=C(Cc6ccc(O)c(OC)c6)CNC5=O)ccc4O)c2c1)OC(C)(O)CC3=O
InChIInChI=1S/C34H31NO10/c1-34(41)14-24(38)30-31(39)29-21(12-19(42-2)13-26(29)44-4)28(32(30)45-34)20-11-17(6-8-22(20)36)27-18(15-35-33(27)40)9-16-5-7-23(37)25(10-16)43-3/h5-8,10-13,36-37,39,41H,9,14-15H2,1-4H3,(H,35,40)
InChIKeyQCASCFJHZCUOGX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25944531)
ChEBI Ontology
Outgoing Relation(s)
Carbonarin I (CHEBI:227543) is a organic heterotricyclic compound (CHEBI:26979)
Carbonarin I (CHEBI:227543) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[3-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-4-hydroxyphenyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2-dihydropyrrol-5-one
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78435491ChemSpider