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CHEBI:208901 - Nigerasperone B

ChEBI IDCHEBI:208901
ChEBI NameNigerasperone B
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FormulaC32H30O12
Net Charge0
Average Mass606.580
Monoisotopic Mass606.17373
SMILESCOc1cc(OC)c2c3c(c(O)c(-c4c(OC)cc5cc(O)c6c(c5c4OC)OC(C)(O)CC6=O)c2c1)C(=O)CC(C)(O)O3
InChIInChI=1S/C32H30O12/c1-31(37)11-17(34)24-16(33)7-13-8-19(40-4)26(28(42-6)21(13)29(24)43-31)23-15-9-14(39-3)10-20(41-5)22(15)30-25(27(23)36)18(35)12-32(2,38)44-30/h7-10,33,36-38H,11-12H2,1-6H3
InChIKeyVYRJMNNIHZJSTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (17446694)
ChEBI Ontology
Outgoing Relation(s)
Nigerasperone B (CHEBI:208901) is a organic heterotricyclic compound (CHEBI:26979)
Nigerasperone B (CHEBI:208901) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
9-(2,5-dihydroxy-8,10-dimethoxy-2-methyl-4-oxo-3H-benzo[h]chromen-6-yl)-2,5-dihydroxy-8,10-dimethoxy-2-methyl-3H-benzo[h]chromen-4-one
Manual XrefsDatabases
17284261ChemSpider