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CHEBI:173156 - Spirotaccagenin

Default Structure
ChEBI IDCHEBI:173156
ChEBI NameSpirotaccagenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILESCC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(O)(CO)CO2
InChIInChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3
InChIKeyLAJZFNUUUUJYJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Spirotaccagenin (CHEBI:173156) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3',16-diol
Manual XrefsDatabases
HMDB0034424HMDB