CHEBI:10061 - Xanthinin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Xanthinin
ChEBI ID CHEBI:10061
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H22O5
Net Charge 0
Average Mass 306.354
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1
InChIKey DPSCQKGSAHTWSP-LPVYDGHXSA-N
SMILES C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C(CC(C)=O)OC(C)=O
ChEBI Ontology
Outgoing Xanthinin (CHEBI:10061) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Xanthinin KEGG COMPOUND
Manual Xrefs Databases
C00000313 KNApSAcK
C09602 KEGG COMPOUND
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Registry Number Type Source
580-49-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014