(R)-Pantothenic acid 4'-O-b-D-glucoside (CHEBI:168031)

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CHEBI:168031 - (R)-Pantothenic acid 4'-O-b-D-glucoside

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ChEBI ID	CHEBI:168031
ChEBI Name	(R)-Pantothenic acid 4'-O-b-D-glucoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H27NO10
Net Charge	0
Average Mass	381.378
Monoisotopic Mass	381.16350
SMILES	CC(C)(COC1OC(CO)C(O)C(O)C1O)C(O)C(=O)NCCC(=O)O
InChI	InChI=1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)
InChIKey	GMURXYJSTRMISD-UHFFFAOYSA-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)
	(R)-Pantothenic acid 4'-O-b-D-glucoside (CHEBI:168031) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
3-[[2-hydroxy-3,3-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoic acid

Manual Xrefs	Databases
HMDB0033965	HMDB