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CHEBI:169142 - Villinol

ChEBI IDCHEBI:169142
ChEBI NameVillinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O8
Net Charge0
Average Mass438.432
Monoisotopic Mass438.13147
SMILESC=C(C)C1Cc2c(cc(O)c3c(=O)c4c(oc23)C(OC)Oc2cc(OC)c(OC)cc2-4)O1
InChIInChI=1S/C24H22O8/c1-10(2)14-7-12-15(30-14)8-13(25)20-21(26)19-11-6-17(27-3)18(28-4)9-16(11)31-24(29-5)23(19)32-22(12)20/h6,8-9,14,24-25H,1,7H2,2-5H3
InChIKeyGMVHFTVCPPCMGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Villinol (CHEBI:169142) is a rotenones (CHEBI:72581)
IUPAC Name 
10-hydroxy-16,17,21-trimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
Manual XrefsDatabases
24842970ChemSpider
LMPK12060072LIPID MAPS