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

ChEBI IDCHEBI:174510
ChEBI Name(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESCC(C)C12CC1C(C)(OC1OC(CO)C(O)C(O)C1O)CC2O
InChIInChI=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
InChIKeyHVTLBEUPVKSBIB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(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
Manual XrefsDatabases
HMDB0033644HMDB