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CHEBI:166995 - tigogenin 3-O-β-D-glucopyranoside

ChEBI IDCHEBI:166995
ChEBI Nametigogenin 3-O-β-D-glucopyranoside
Stars
ASCII Nametigogenin 3-O-beta-D-glucopyranoside
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H54O8
Net Charge0
Average Mass578.787
Monoisotopic Mass578.38187
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChIKeyZNEIIZNXGCIAAL-WILLDVSMSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) has functional parent tigogenin (CHEBI:9595)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) has parent hydride spirostan (CHEBI:26745)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) has role metabolite (CHEBI:25212)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) is a hexacyclic triterpenoid (CHEBI:70994)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) is a monosaccharide derivative (CHEBI:63367)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) is a spiroketal (CHEBI:72600)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) is a sterol 3-β-D-glucoside (CHEBI:37424)
UniProt Name  Source
tigogenin 3-O-β-D-glucopyranosideUniProt
Citations