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CHEBI:168100 - (S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran

ChEBI IDCHEBI:168100
ChEBI Name(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESC=C(C)C1Cc2cc(C(=O)CO)c(O)cc2O1
InChIInChI=1S/C13H14O4/c1-7(2)12-4-8-3-9(11(16)6-14)10(15)5-13(8)17-12/h3,5,12,14-15H,1,4,6H2,2H3
InChIKeyDSPWIGNSRMCMGP-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)
(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran (CHEBI:168100) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
2-hydroxy-1-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-5-yl)ethanone
Manual XrefsDatabases
HMDB0030486HMDB
35013208ChemSpider