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CHEBI:15575 - nuatigenin 3-β-D-glucopyranoside

ChEBI IDCHEBI:15575
ChEBI Namenuatigenin 3-β-D-glucopyranoside
Stars
ASCII Namenuatigenin 3-beta-D-glucopyranoside
Secondary ChEBI IDsCHEBI:175, CHEBI:10851, CHEBI:18530, CHEBI:57420
Last Modified12 April 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H52O9
Net Charge0
Average Mass592.770
Monoisotopic Mass592.36113
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@](C)(CO)O3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1
InChIKeyQJEQHVALLZCTGC-HPNIRRCESA-N
Roles Classification
Biological Role:
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)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) has functional parent nuatigenin (CHEBI:15574)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a monosaccharide derivative (CHEBI:63367)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a steroid saponin (CHEBI:61655)
nuatigenin 3-β-D-glucopyranoside (CHEBI:15575) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3β-yl β-D-glucopyranoside
Synonyms  Source
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucosideKEGG COMPOUND
(20S,22S,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3β-yl β-D-glucopyranosideChEBI
UniProt Name  Source
nuatigenin 3-β-D-glucopyranosideUniProt
Manual XrefsDatabases
C04859KEGG COMPOUND