(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside (CHEBI:174510)

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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	(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside

ChEBI ID	CHEBI:174510

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H28O7

Net Charge

Average Mass

332.393

Monoisotopic Mass

332.18350

InChI

InChI=1S/C16H28O7/c1-7(2)16-4-9(16)15(3,5-10(16)18)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3

InChIKey

HVTLBEUPVKSBIB-UHFFFAOYSA-N

SMILES

O(C1(C2C(C2)(C(O)C1)C(C)C)C)C3OC(C(O)C(O)C3O)CO

ChEBI Ontology
Outgoing	(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside (CHEBI:174510) is a terpene glycoside (CHEBI:61777)

IUPAC Name

2-(hydroxymethyl)-6-[(4-hydroxy-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)oxy]oxane-3,4,5-triol