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CHEBI:168429 - 2-{[3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]methyl}benzene-1,3,5-triol

Default Structure
ChEBI IDCHEBI:168429
ChEBI Name2-{[3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]methyl}benzene-1,3,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCC(C)=CCCC1(C)OC1Cc1c(O)cc(O)cc1O
InChIInChI=1S/C16H22O4/c1-10(2)5-4-6-16(3)15(20-16)9-12-13(18)7-11(17)8-14(12)19/h5,7-8,15,17-19H,4,6,9H2,1-3H3
InChIKeyPDXDSGCWKPRDAS-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)
2-{[3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]methyl}benzene-1,3,5-triol (CHEBI:168429) is a benzenetriol (CHEBI:22707)
IUPAC Name 
2-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]benzene-1,3,5-triol
Manual XrefsDatabases
74853153ChemSpider
HMDB0133085HMDB