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CHEBI:208870 - Ustilaginoidin E1

ChEBI IDCHEBI:208870
ChEBI NameUstilaginoidin E1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24O10
Net Charge0
Average Mass532.501
Monoisotopic Mass532.13695
SMILESCC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O1
InChIInChI=1S/C29H24O10/c1-9-4-14(30)25-19(38-9)5-12-21(15(31)7-17(33)23(12)28(25)36)22-13-6-20-26(27(35)10(2)11(3)39-20)29(37)24(13)18(34)8-16(22)32/h5-11,31-34,36-37H,4H2,1-3H3/t9?,10-,11+/m1/s1
InChIKeyZHECJFNKDQXHIW-ZOCYIJKUSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - PubMed (25781489)
ChEBI Ontology
Outgoing Relation(s)
Ustilaginoidin E1 (CHEBI:208870) is a organic heterotricyclic compound (CHEBI:26979)
Ustilaginoidin E1 (CHEBI:208870) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3R)-5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
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78438460ChemSpider