CHEBI:9511 - Thalicsessine

ChEBI IDCHEBI:9511
ChEBI NameThalicsessine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H27NO4
Net Charge0
Average Mass369.461
Monoisotopic Mass369.19401
SMILES[H][C@@]12C(=O)C[C@@]34CC(=C)[C@H]5CC3C3N(CCO)C(=O)[C@]1(C)CCC[C@]32[C@]4([H])C5=O
InChIInChI=1S/C22H27NO4/c1-11-9-21-10-14(25)16-20(2)4-3-5-22(16)17(21)15(26)12(11)8-13(21)18(22)23(6-7-24)19(20)27/h12-13,16-18,24H,1,3-10H2,2H3/t12-,13?,16-,17-,18?,20-,21+,22+/m1/s1
InChIKeySOOGRVQQQMCVQZ-YVFUZPLQSA-N
ChEBI Ontology
Outgoing Relation(s)
Thalicsessine (CHEBI:9511) has parent hydride atisane (CHEBI:36471)
Thalicsessine (CHEBI:9511) is a diterpenoid (CHEBI:23849)
Synonym  Source
ThalicsessineKEGG COMPOUND
Manual XrefsDatabases
C08714KEGG COMPOUND
C00001670KNApSAcK
Registry NumbersSources
CAS:113807-86-6KEGG COMPOUND