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CHEBI:169659 - 7-beta-D-Glucopyranosyloxybutylidenephthalide

ChEBI IDCHEBI:169659
ChEBI Name7-beta-D-Glucopyranosyloxybutylidenephthalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O8
Net Charge0
Average Mass366.366
Monoisotopic Mass366.13147
SMILESCCC/C=C1/OC(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21
InChIInChI=1S/C18H22O8/c1-2-3-6-10-9-5-4-7-11(13(9)17(23)24-10)25-18-16(22)15(21)14(20)12(8-19)26-18/h4-7,12,14-16,18-22H,2-3,8H2,1H3/b10-6+
InChIKeyLNWJAAMNXBMBCE-UXBLZVDNSA-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)
7-beta-D-Glucopyranosyloxybutylidenephthalide (CHEBI:169659) is a glycoside (CHEBI:24400)
IUPAC Name 
(3E)-3-butylidene-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-benzouran-1-one
Manual XrefsDatabases
HMDB0034752HMDB