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CHEBI:172004 - Ginsenoside Rh3

ChEBI IDCHEBI:172004
ChEBI NameGinsenoside Rh3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O7
Net Charge0
Average Mass604.869
Monoisotopic Mass604.43390
SMILES[H][C@]12[C@H](O)C[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]34C)[C@]1(C)CC[C@@H]2/C(C)=C\CC=C(C)C
InChIInChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1
InChIKeyPHLXREOMFNVWOH-YAGNRYSRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
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)
Ginsenoside Rh3 (CHEBI:172004) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
20143877ChemSpider
Registry NumbersSources
CAS:105558-26-7ChemIDplus