CHEBI:168435 - (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside

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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)-2,4,7-Thujanetriol 4-glucoside
ChEBI ID CHEBI:168435
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H28O8
Net Charge 0
Average Mass 348.392
Monoisotopic Mass 348.17842
InChI InChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3
InChIKey XCEFCWBOZHJCAP-UHFFFAOYSA-N
SMILES O(C1(C2C(C2)(C(O)C1)C(O)(C)C)C)C3OC(C(O)C(O)C3O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside (CHEBI:168435) is a terpene glycoside (CHEBI:61777)
IUPAC Name
2-[[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyl-2-bicyclo[3.1.0]hexanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
74886400 ChemSpider
HMDB0033645 HMDB
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