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

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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 tigogenin 3-O-β-D-glucopyranoside
ChEBI ID CHEBI:166995
ChEBI ASCII Name tigogenin 3-O-beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C33H54O8
Net Charge 0
Average Mass 578.787
Monoisotopic Mass 578.38187
InChI InChI=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
InChIKey ZNEIIZNXGCIAAL-WILLDVSMSA-N
SMILES C1C[C@@H](C[C@]2([C@]1([C@@]3([C@@](CC2)([C@@]4(C[C@@]5(O[C@]6([C@H]([C@@]5([C@]4(CC3)C)[H])C)OC[C@@H](CC6)C)[H])[H])[H])[H])C)[H])O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing 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)
Synonym Source
tigogenin 3-O-β-D-glucopyranoside UniProt
Citation Waiting for Citations Type Source
15821879 PubMed citation SUBMITTER