6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose (CHEBI:168643)

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CHEBI:168643 - 6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose

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ChEBI ID	CHEBI:168643
ChEBI Name	6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H18O9
Net Charge	0
Average Mass	294.256
Monoisotopic Mass	294.09508
SMILES	C=C(C(=O)OCC1O[C@@H](O)C(O)C(O)[C@@H]1O)[C@@H](O)CO
InChI	InChI=1S/C11H18O9/c1-4(5(13)2-12)10(17)19-3-6-7(14)8(15)9(16)11(18)20-6/h5-9,11-16,18H,1-3H2/t5-,6?,7+,8?,9?,11+/m0/s1
InChIKey	FMHJNIRDGYFPEC-WYFQEVEQSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose (CHEBI:168643) is a lipopolysaccharide (CHEBI:16412)

IUPAC Name
[(3S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (3R)-3,4-dihydroxy-2-methylidenebutanoate

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