Orcinol glucoside (CHEBI:182737)

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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	Orcinol glucoside

ChEBI ID	CHEBI:182737

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O7

Net Charge

Average Mass

286.280

Monoisotopic Mass

286.10525

InChI

InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey

YTXIGTCAQNODGD-UJPOAAIJSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=CC(O)=C2)C)CO

ChEBI Ontology
Outgoing	Orcinol glucoside (CHEBI:182737) is a glycoside (CHEBI:24400)

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol