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CHEBI:232477 - 3-O-(β-D-glucopyranosyl)-2α-acetoxyisomotiol

ChEBI IDCHEBI:232477
ChEBI Name3-O-(β-D-glucopyranosyl)-2α-acetoxyisomotiol
Stars
ASCII Name3-O-(beta-D-glucopyranosyl)-2alpha-acetoxyisomotiol
SubmitterAnne Morgat
DownloadsMolfile
FormulaC38H62O8
Net Charge0
Average Mass646.906
Monoisotopic Mass646.44447
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)C[C@@H](OC(C)=O)[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/C38H62O8/c1-20(2)22-10-13-28-35(22,6)16-17-37(8)24-11-12-27-34(4,5)32(46-33-31(43)30(42)29(41)26(19-39)45-33)25(44-21(3)40)18-36(27,7)23(24)14-15-38(28,37)9/h20,22,25-33,39,41-43H,10-19H2,1-9H3/t22-,25-,26-,27+,28-,29-,30+,31-,32+,33+,35-,36-,37-,38+/m1/s1
InChIKeyJHPRINUVFRMYDG-XCURSTFZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-(β-D-glucopyranosyl)-2α-acetoxyisomotiol (CHEBI:232477) is a glycoside (CHEBI:24400)
3-O-(β-D-glucopyranosyl)-2α-acetoxyisomotiol (CHEBI:232477) is a triterpenoid (CHEBI:36615)
UniProt Name  Source
3-O-(β-D-glucopyranosyl)-2α-acetoxyisomotiolUniProt
Citations