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CHEBI:188335 - Hongguanggenin

Default Structure
ChEBI IDCHEBI:188335
ChEBI NameHongguanggenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O5
Net Charge0
Average Mass464.687
Monoisotopic Mass464.35017
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](CC)[C@@H](O[C@]3(C)OC[C@H](C)CC3O)C[C@@]21[H]
InChIInChI=1S/C28H48O5/c1-6-19-24(33-28(5)25(31)11-16(2)15-32-28)14-21-18-13-23(30)22-12-17(29)7-9-27(22,4)20(18)8-10-26(19,21)3/h16-25,29-31H,6-15H2,1-5H3/t16-,17+,18-,19+,20+,21+,22-,23+,24+,25?,26-,27-,28+/m1/s1
InChIKeyVBBBEPSYZZJGLL-XIKZFJPTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Hongguanggenin (CHEBI:188335) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5S,6S,8R,9S,10R,13S,14S,16S,17R)-17-ethyl-16-[(2S,5R)-3-hydroxy-2,5-dimethyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
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