CHEBI:8031 - Petasitenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Petasitenine
ChEBI ID CHEBI:8031
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H27NO7
Net Charge 0
Average Mass 381.421
Monoisotopic Mass 381.17875
InChI InChI=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
InChIKey CZQLULNMKQAIQL-PFDMWMSASA-N
SMILES C[C@H]1O[C@]11C[C@@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
ChEBI Ontology
Outgoing Petasitenine (CHEBI:8031) is a spiro-epoxide (CHEBI:133131)
Synonym Source
Petasitenine KEGG COMPOUND
Manual Xrefs Databases
C00002105 KNApSAcK
C10359 KEGG COMPOUND
HMDB0030328 HMDB
View more database links
Registry Number Type Source
60102-37-6 CAS Registry Number KEGG COMPOUND
Last Modified
23 August 2016