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CHEBI:232474 - 3-O-(β-D-glucopyranosyl)-isomotiol

ChEBI IDCHEBI:232474
ChEBI Name3-O-(β-D-glucopyranosyl)-isomotiol
Stars
ASCII Name3-O-(beta-D-glucopyranosyl)-isomotiol
SubmitterAnne Morgat
DownloadsMolfile
FormulaC36H60O6
Net Charge0
Average Mass588.870
Monoisotopic Mass588.43899
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@]1([H])CC3
InChIInChI=1S/C36H60O6/c1-20(2)21-9-12-26-34(21,6)17-18-35(7)23-10-11-25-32(3,4)27(14-15-33(25,5)22(23)13-16-36(26,35)8)42-31-30(40)29(39)28(38)24(19-37)41-31/h20-21,24-31,37-40H,9-19H2,1-8H3/t21-,24-,25+,26-,27+,28-,29+,30-,31+,33-,34-,35-,36+/m1/s1
InChIKeyLVHPZNOIRZPLHW-SKFYXBMVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-(β-D-glucopyranosyl)-isomotiol (CHEBI:232474) is a glycoside (CHEBI:24400)
3-O-(β-D-glucopyranosyl)-isomotiol (CHEBI:232474) is a triterpenoid (CHEBI:36615)
Synonym  Source
isomotiol-3-O-β-D-glucosideSUBMITTER
UniProt Name  Source
3-O-(β-D-glucopyranosyl)-isomotiolUniProt
Citations