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CHEBI:228836 - (20R)-Ginsenoside Rh1

ChEBI IDCHEBI:228836
ChEBI Name(20R)-Ginsenoside Rh1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O9
Net Charge0
Average Mass638.883
Monoisotopic Mass638.43938
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(O)CCC=C(C)C)CC[C@@]3(C)[C@]1(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1
InChIKeyRAQNTCRNSXYLAH-PQYWRUIPSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
(20R)-Ginsenoside Rh1 (CHEBI:228836) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
10229012ChemSpider