CHEBI:2313 - 8-Deoxylactucin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-Deoxylactucin
ChEBI ID CHEBI:2313
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H16O4
Net Charge 0
Average Mass 260.286
Monoisotopic Mass 260.10486
InChI InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1
InChIKey NIYXMGSLECQTQT-BPNCWPANSA-N
SMILES CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
ChEBI Ontology
Outgoing 8-Deoxylactucin (CHEBI:2313) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
8-Deoxylactucin KEGG COMPOUND
Manual Xrefs Databases
C00003247 KNApSAcK
C09392 KEGG COMPOUND
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Registry Number Type Source
65725-10-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014