CHEBI:167135 - 16α-hydroxygypsogenate 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 16α-hydroxygypsogenate 28-β-D-glucoside(1−)
ChEBI ID CHEBI:167135
ChEBI ASCII Name 16alpha-hydroxygypsogenate 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 C36H55O11
Net Charge -1
Average Mass 663.826
Monoisotopic Mass 663.37499
InChI InChI=1S/C36H56O11/c1-31(2)13-14-36(30(45)47-28-27(42)26(41)25(40)20(17-37)46-28)19(15-31)18-7-8-21-32(3)11-10-23(38)35(6,29(43)44)22(32)9-12-33(21,4)34(18,5)16-24(36)39/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,32+,33+,34+,35-,36+/m0/s1
InChIKey HLXPBKFHRUAJIQ-WMNZDZEASA-M
SMILES O(C(=O)[C@@]12[C@@H](C[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)O)[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
ChEBI Ontology
Outgoing 16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) has functional parent 16α-hydroxygypsogenate(2−) (CHEBI:167134)
16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) is a β-D-glucoside (CHEBI:22798)
16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) is a monosaccharide derivative (CHEBI:63367)
Synonym Source
16α-hydroxygypsogenate 28-β-D-glucoside UniProt
Manual Xref Database
CPD-9477 MetaCyc accession
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Citation Waiting for Citations Type Source
17172290 PubMed citation SUBMITTER