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CHEBI:10061 - Xanthinin

ChEBI IDCHEBI:10061
ChEBI NameXanthinin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@]12C[C@H](C)C(C(CC(C)=O)OC(C)=O)=CC[C@]1([H])C(=C)C(=O)O2
InChIInChI=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
InChIKeyDPSCQKGSAHTWSP-LPVYDGHXSA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthinin (CHEBI:10061) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
XanthininKEGG COMPOUND
Manual XrefsDatabases
C09602KEGG COMPOUND
C00000313KNApSAcK
Registry NumbersSources
CAS:580-49-4KEGG COMPOUND