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CHEBI:186545 - Karatavegenin C

Default Structure
ChEBI IDCHEBI:186545
ChEBI NameKaratavegenin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILES[H][C@@]12CC=C3C[C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC(O)[C@@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-23(32-27)10-19-17-6-5-16-9-20(28)22(30)11-26(16,4)18(17)7-8-25(19,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15-,17+,18-,19-,20+,21?,22+,23-,24-,25-,26-,27+/m0/s1
InChIKeyAJYSEUOXJDRNAO-AVTSHUCJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Karatavegenin C (CHEBI:186545) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4',15,16-triol
Manual XrefsDatabases
LMST01080039LIPID MAPS