CHEBI:4656 - Disenecionyl cis-khellactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Disenecionyl cis-khellactone
ChEBI ID CHEBI:4656
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C24H26O7
Net Charge 0
Average Mass 426.460
Monoisotopic Mass 426.16785
InChI InChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1
InChIKey UHWIZIJICYWABA-DHIUTWEWSA-N
SMILES CC(C)=CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12
ChEBI Ontology
Outgoing Disenecionyl cis-khellactone (CHEBI:4656) is a coumarins (CHEBI:23403)
Synonym Source
Disenecionyl cis-khellactone KEGG COMPOUND
Manual Xrefs Databases
C00002469 KNApSAcK
C09261 KEGG COMPOUND
View more database links
Registry Number Type Source
54676-88-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014