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CHEBI:168682 - 3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate

ChEBI IDCHEBI:168682
ChEBI Name3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O12
Net Charge0
Average Mass454.469
Monoisotopic Mass454.20503
SMILESCCCCOC(=O)C[C@@H](C)O[C@@H]1OC(CO[C@@H]2OC[C@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10+,11?,13+,14-,15+,16?,17?,18+,19-/m1/s1
InChIKeyMLIAQAVEASULJH-OUFVPBLDSA-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)
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate (CHEBI:168682) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
butyl (3R)-3-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutanoate
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LMFA13010045LIPID MAPS