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CHEBI:175290 - 3-Isomangostin

ChEBI IDCHEBI:175290
ChEBI Name3-Isomangostin
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SubmitterMetaboLights
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FormulaC24H26O6
Net Charge0
Average Mass410.466
Monoisotopic Mass410.17294
SMILESCOc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4
InChIInChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKeyKJCDBAVVDILRMP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Isomangostin (CHEBI:175290) is a xanthones (CHEBI:51149)
IUPAC Name 
5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
Manual XrefsDatabases
MKUPDBeChem
13077523ChemSpider
HMDB0041521HMDB