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CHEBI:175577 - Taccagenin

ChEBI IDCHEBI:175577
ChEBI NameTaccagenin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILESCC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)(CO)O2
InChIInChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3
InChIKeyALWIMEGFKSOEQI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Taccagenin (CHEBI:175577) is a oxaspiro compound (CHEBI:37948)
Taccagenin (CHEBI:175577) is a steroid (CHEBI:35341)
IUPAC Name 
5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol
Manual XrefsDatabases
HMDB0034189HMDB