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CHEBI:176310 - (20E)-Ginsenoside F4

ChEBI IDCHEBI:176310
ChEBI Name(20E)-Ginsenoside F4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O12
Net Charge0
Average Mass767.010
Monoisotopic Mass766.48673
SMILES[H][C@]12[C@H](O)C[C@@]3([H])[C@@](C)(C[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)[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@@H]2/C(C)=C\CC=C(C)C
InChIInChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12-/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1
InChIKeyQOMBXPYXWGTFNR-KRPFXEAISA-N
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)
(20E)-Ginsenoside F4 (CHEBI:176310) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
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