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CHEBI:144388 - Condurangogenin A

ChEBI IDCHEBI:144388
ChEBI NameCondurangogenin A
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Submittermwilliams
DownloadsMolfile
FormulaC32H42O7
Net Charge0
Average Mass538.681
Monoisotopic Mass538.29305
SMILESCC(=O)O[C@H]1[C@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]2(C)[C@@H]1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C32H42O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(38-20(2)34)29(31(24,32)4)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,22-25,27-29,35,37H,11-12,14-18H2,1-4H3/b13-10+/t22-,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1
InChIKeySGDAJMSNTKLPML-SKMKETMKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Condurangogenin A (CHEBI:144388) is a 1,3-oxazoles (CHEBI:46812)
IUPAC Name 
[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
C17767KEGG COMPOUND