CHEBI:46707 - gypsogenin 3-O-rhamnosylglucosiduronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gypsogenin 3-O-rhamnosylglucosiduronic acid
ChEBI ID CHEBI:46707
ChEBI ASCII Name gypsogenin 3-O-rhamnosylglucosiduronic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24465, CHEBI:5581
Supplier Information
Download Molfile XML SDF
Formula C42H64O14
Net Charge 0
Average Mass 792.94916
Monoisotopic Mass 792.42961
InChI InChI=1S/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1
InChIKey OLFGQBKWRYLUAQ-KHXUXTKLSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)=O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O
ChEBI Ontology
Outgoing gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) has functional parent gypsogenin (CHEBI:5580)
gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a disaccharide derivative (CHEBI:63353)
gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a glucosiduronic acid (CHEBI:24302)
gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a rhamnosylglucoside (CHEBI:26548)
IUPAC Name
28-hydroxy-23,28-dioxoolean-12-en-3β-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid
Synonyms Sources
Gypsogenin 3-O-rhamnosylglucuronide KEGG COMPOUND
gypsogenin 3-O-rhamnosylglucuronoside ChEBI
Manual Xrefs Databases
C00003526 KNApSAcK
C08952 KEGG COMPOUND
View more database links
Registry Number Type Source
110064-53-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014