CHEBI:4923 - Eupacunin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Eupacunin
ChEBI ID CHEBI:4923
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.454
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-7-11(2)21(25)28-18-8-12(3)16(24)10-17(27-15(6)23)13(4)9-19-20(18)14(5)22(26)29-19/h7-9,16-20,24H,5,10H2,1-4,6H3/b11-7-,12-8-,13-9-/t16-,17-,18+,19+,20+/m0/s1
InChIKey LVPCBECJXWCROK-IYZBVFDJSA-N
SMILES C\C=C(\C)C(=O)O[C@@H]1\C=C(C)/[C@@H](O)C[C@H](OC(C)=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
ChEBI Ontology
Outgoing Eupacunin (CHEBI:4923) is a germacranolide (CHEBI:73011)
Synonym Source
Eupacunin KEGG COMPOUND
Manual Xrefs Databases
C00003266 KNApSAcK
C09427 KEGG COMPOUND
View more database links
Registry Number Type Source
33854-15-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014