crosatoside B (CHEBI:134473)

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CHEBI:134473 - crosatoside B

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ChEBI ID	CHEBI:134473
ChEBI Name	crosatoside B
Stars
Definition	A glycosylglucose derivative that is α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 2-(4-hydroxyphenyl)ethyl group.
Last Modified	3 July 2017
Submitter	Keeva
Downloads	Molfile

Formula	C20H30O11
Net Charge	0
Average Mass	446.449
Monoisotopic Mass	446.17881
SMILES	C[C@@H]1O[C@@H](O[C@H]2[C@H](OCCc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C20H30O11/c1-9-13(23)15(25)17(27)19(29-9)31-18-16(26)14(24)12(8-21)30-20(18)28-7-6-10-2-4-11(22)5-3-10/h2-5,9,12-27H,6-8H2,1H3/t9-,12+,13-,14+,15+,16-,17+,18+,19-,20+/m0/s1
InChIKey	BMZAMCOQJLZXCY-QLDOSHOCSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	MetaboLights (MTBLS313)
Rattus norvegicus (ncbitaxon:10116)	-	MetaboLights (MTBLS313)

Roles Classification

Biological Roles:

rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	crosatoside B (CHEBI:134473) has functional parent 2-(4-hydroxyphenyl)ethanol (CHEBI:1879)
	crosatoside B (CHEBI:134473) has role mouse metabolite (CHEBI:75771)
	crosatoside B (CHEBI:134473) has role rat metabolite (CHEBI:86264)
	crosatoside B (CHEBI:134473) is a glycoside (CHEBI:24400)
	crosatoside B (CHEBI:134473) is a glycosylglucose derivative (CHEBI:63361)
	crosatoside B (CHEBI:134473) is a phenols (CHEBI:33853)

IUPAC Names
2-(4-hydroxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
2-(4-hydroxyphenyl)ethyl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside

Synonyms	Source
2-(4-hydroxyphenyl)ethyl α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside	ChEBI
2-(4-hydroxyphenyl)ethyl α-L-rhamnosyl-(1→2)-β-D-glucoside	ChEBI

Manual Xrefs	Databases
HMDB0039253	HMDB

Registry Numbers	Sources
CAS:139742-28-2	HMDB