CHEBI:167132 - gypsogenate 28-β-D-glucoside(1−)

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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 gypsogenate 28-β-D-glucoside(1−)
ChEBI ID CHEBI:167132
ChEBI ASCII Name gypsogenate 28-beta-D-glucoside(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C36H55O10
Net Charge -1
Average Mass 647.827
Monoisotopic Mass 647.38007
InChI InChI=1S/C36H56O10/c1-31(2)13-15-36(30(44)46-28-27(41)26(40)25(39)21(18-37)45-28)16-14-33(4)19(20(36)17-31)7-8-22-32(3)11-10-24(38)35(6,29(42)43)23(32)9-12-34(22,33)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/p-1/t20-,21+,22+,23+,24-,25+,26-,27+,28+,32+,33+,34+,35-,36-/m0/s1
InChIKey OKQLTVHTONLCTA-DHXNQODGSA-M
SMILES O(C(=O)[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
ChEBI Ontology
Outgoing gypsogenate 28-β-D-glucoside(1−) (CHEBI:167132) has functional parent gypsogenic acid (CHEBI:71531)
gypsogenate 28-β-D-glucoside(1−) (CHEBI:167132) is a β-D-glucoside (CHEBI:22798)
gypsogenate 28-β-D-glucoside(1−) (CHEBI:167132) is a monocarboxylic acid anion (CHEBI:35757)
gypsogenate 28-β-D-glucoside(1−) (CHEBI:167132) is a monosaccharide derivative (CHEBI:63367)
Synonym Source
gypsogenate 28-β-D-glucoside UniProt
Manual Xref Database
CPD-9475 MetaCyc accession
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Citation Waiting for Citations Type Source
17172290 PubMed citation SUBMITTER