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CHEBI:168128 - 1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose

ChEBI IDCHEBI:168128
ChEBI Name1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O9
Net Charge0
Average Mass294.256
Monoisotopic Mass294.09508
SMILESC=C(C(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O)[C@@H](O)CO
WURCSWURCS=2.0/1,1,0/[axx2xh-1u_1-5_1*OCCC^RCO/5O/4=C/3=O]/1/
InChIInChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6?,7+,8?,9?,11-/m0/s1
InChIKeyKVRQQFBSAHPTAB-CQUMXOOTSA-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-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose (CHEBI:168128) is a hexose (CHEBI:18133)
IUPAC Name 
[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate
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