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CHEBI:168154 - Abscisic alcohol 11-glucoside

ChEBI IDCHEBI:168154
ChEBI NameAbscisic alcohol 11-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O8
Net Charge0
Average Mass412.479
Monoisotopic Mass412.20972
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C/COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+
InChIKeyPMGQCIZHFNQTAO-YTEPGLGFSA-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)
Abscisic alcohol 11-glucoside (CHEBI:168154) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0039636HMDB