CHEBI:192593 - 6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside

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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-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
ChEBI ID CHEBI:192593
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H28O12
Net Charge 0
Average Mass 412.388
Monoisotopic Mass 412.15808
InChI InChI=1S/C16H28O12/c1-5(2)14(24)25-4-7-9(19)11(21)13(23)16(27-7)28-15-12(22)10(20)8(18)6(3-17)26-15/h5-13,15-23H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,15-,16-/m1/s1
InChIKey FUUXIPLOLSVADM-MMEOWKKZSA-N
SMILES O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)C(C)C)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
Metabolite of Species Details
Valsa sordida (NCBI:txid252740) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside (CHEBI:192593) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-methylpropanoate
Manual Xref Database
29814828 ChemSpider
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