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CHEBI:229120 - Formosanatin A

ChEBI IDCHEBI:229120
ChEBI NameFormosanatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O8
Net Charge0
Average Mass520.578
Monoisotopic Mass520.20972
SMILESCC(C)=CCc1c(O)c(CCC(C)(C)O)c(O)c2c(=O)c3c(oc12)oc1c2c(c(O)cc13)OC(C)(C)C=C2
InChIInChI=1S/C30H32O8/c1-14(2)7-8-16-22(32)15(9-11-29(3,4)35)23(33)21-24(34)20-18-13-19(31)26-17(10-12-30(5,6)38-26)25(18)36-28(20)37-27(16)21/h7,10,12-13,31-33,35H,8-9,11H2,1-6H3
InChIKeyGNZLRTYZJULUCG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Formosanatin A (CHEBI:229120) is a isoflavanones (CHEBI:38741)
IUPAC Name 
5,7,20-trihydroxy-6-(3-hydroxy-3-methylbutyl)-17,17-dimethyl-8-(3-methylbut-2-enyl)-10,12,18-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4,6,8,13,15,19-octaen-3-one
Manual XrefsDatabases
552312ChemSpider