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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose

ChEBI ID	CHEBI:168643

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O9

Net Charge

Average Mass

294.256

Monoisotopic Mass

294.09508

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

SMILES

O1C([C@@H](O)C(O)C(O)[C@@H]1O)COC(=O)C([C@@H](O)CO)=C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	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