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CHEBI:8031 - Petasitenine

ChEBI IDCHEBI:8031
ChEBI NamePetasitenine
Stars
Last Modified23 August 2016
DownloadsMolfile
FormulaC19H27NO7
Net Charge0
Average Mass381.425
Monoisotopic Mass381.17875
SMILESC[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@]1(C)O)C2=O
InChIInChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1
InChIKeyCZQLULNMKQAIQL-PFDMWMSASA-N
ChEBI Ontology
Outgoing Relation(s)
Petasitenine (CHEBI:8031) is a spiro-epoxide (CHEBI:133131)
Synonym  Source
PetasitenineKEGG COMPOUND
Manual XrefsDatabases
C10359KEGG COMPOUND
C00002105KNApSAcK
HMDB0030328HMDB
Registry NumbersSources
CAS:60102-37-6KEGG COMPOUND