CHEBI:5240 - Gaillardin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gaillardin
ChEBI ID CHEBI:5240
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000059065631
Download Molfile XML SDF
Formula C17H22O5
Net Charge 0
Average Mass 306.354
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1
InChIKey UTPGJEROJZHISI-DFGCRIRUSA-N
SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](OC(=O)C3=C)C=C(C)[C@@H]12
ChEBI Ontology
Outgoing Gaillardin (CHEBI:5240) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Gaillardin KEGG COMPOUND
Manual Xrefs Databases
C00003288 KNApSAcK
C09455 KEGG COMPOUND
View more database links
Registry Number Type Source
14682-46-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014