CHEBI:185579 - Ginsenoside La

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ChEBI Name Ginsenoside La
ChEBI ID CHEBI:185579
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C41H68O13
Net Charge 0
Average Mass 768.982
Monoisotopic Mass 768.46599
InChI InChI=1S/C41H68O13/c1-19(2)14-20-16-41(7,54-37-35(49)33(47)31(45)26(18-43)52-37)22-10-12-40(6)21-8-9-27-38(3,4)28(53-36-34(48)32(46)30(44)25(17-42)51-36)11-13-39(27,5)23(21)15-24(50-20)29(22)40/h14,20-37,42-49H,8-13,15-18H2,1-7H3/t20-,21+,22-,23-,24+,25+,26+,27?,28-,29?,30+,31+,32-,33-,34+,35+,36-,37-,39+,40+,41-/m0/s1
InChIKey VOUCMBDNXOKLCQ-YATHHJDDSA-N
SMILES O1[C@]2(C3[C@@]([C@]4([C@@]([C@@]5(C(CC4)C([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CC5)(C)C)C)(C2)[H])[H])(CC[C@@]3([C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)(C[C@@H]1C=C(C)C)C)[H])C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Ginsenoside La (CHEBI:185579) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,7S,10R,11S,13R,15R,17S,18S)-1,6,6,10,17-pentamethyl-15-(2-methylprop-1-enyl)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]oxane-3,4,5-triol
Manual Xref Database
115065 ChemSpider
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Registry Number Type Source
123617-34-5 CAS Registry Number ChemIDplus