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CHEBI:209895 - Dihydroisoustilaginoidin A

ChEBI IDCHEBI:209895
ChEBI NameDihydroisoustilaginoidin A
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SubmitterMetaboLights
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FormulaC28H20O10
Net Charge0
Average Mass516.458
Monoisotopic Mass516.10565
SMILESCc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c3cc2o1
InChIInChI=1S/C28H20O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3,5-8,10,29,32-36H,4H2,1-2H3/t10-/m0/s1
InChIKeyIIKCGQWDQVJPMD-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1171848)
ChEBI Ontology
Outgoing Relation(s)
Dihydroisoustilaginoidin A (CHEBI:209895) is a organic heterotricyclic compound (CHEBI:26979)
Dihydroisoustilaginoidin A (CHEBI:209895) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4,5,6-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)benzo[g]chromen-8-one
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78434972ChemSpider