CHEBI:6004 - Isodonal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isodonal
ChEBI ID CHEBI:6004
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/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1
InChIKey QKDLQFSLLCQTOH-MVVUPFSZSA-N
SMILES CC(=O)OC[C@@]12[C@H](CCC(C)(C)[C@H]1C=O)OC(=O)[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O
ChEBI Ontology
Outgoing Isodonal (CHEBI:6004) is a δ-lactone (CHEBI:18946)
Synonym Source
Isodonal KEGG COMPOUND
Manual Xrefs Databases
C00003443 KNApSAcK
C09117 KEGG COMPOUND
View more database links
Registry Number Type Source
16964-56-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014