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CHEBI:10087 - Yamogenin 3-O-neohesperidoside

Default Structure
ChEBI IDCHEBI:10087
ChEBI NameYamogenin 3-O-neohesperidoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC39H62O12
Net Charge0
Average Mass722.913
Monoisotopic Mass722.42413
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[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@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1
InChIKeyHDXIQHTUNGFJIC-SFYWSABLSA-N
ChEBI Ontology
Outgoing Relation(s)
Yamogenin 3-O-neohesperidoside (CHEBI:10087) is a triterpenoid (CHEBI:36615)
Synonym  Source
Yamogenin 3-O-neohesperidosideKEGG COMPOUND
Manual XrefsDatabases
C00003598KNApSAcK
C08919KEGG COMPOUND
Registry NumbersSources
CAS:110996-52-6KEGG COMPOUND