CHEBI:10058 - Xanthatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Xanthatin
ChEBI ID CHEBI:10058
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H18O3
Net Charge 0
Average Mass 246.302
Monoisotopic Mass 246.12559
InChI InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
InChIKey RBRPTFMVULVGIC-ZTIIIDENSA-N
SMILES C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
ChEBI Ontology
Outgoing Xanthatin (CHEBI:10058) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Xanthatin KEGG COMPOUND
Manual Xrefs Databases
C00003394 KNApSAcK
C09601 KEGG COMPOUND
View more database links
Registry Number Type Source
26791-73-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014