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CHEBI:169299 - 1-(3-Methyl-2-butenoyl)-6-apiosylglucose

Default Structure
ChEBI IDCHEBI:169299
ChEBI Name1-(3-Methyl-2-butenoyl)-6-apiosylglucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O11
Net Charge0
Average Mass394.373
Monoisotopic Mass394.14751
SMILESCC(C)=CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C16H26O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h3,8,10-15,17,19-23H,4-6H2,1-2H3
InChIKeyMVLVZZLLWUAMRM-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)
1-(3-Methyl-2-butenoyl)-6-apiosylglucose (CHEBI:169299) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-methylbut-2-enoate
Manual XrefsDatabases
HMDB0039952HMDB