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CHEBI:6064 - Isotenulin

ChEBI IDCHEBI:6064
ChEBI NameIsotenulin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@]12[C@@H](OC(C)=O)[C@]3(C)C(=O)C=C[C@@]3([H])[C@H](C)C[C@]1([H])OC(=O)[C@@H]2C
InChIInChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11+,12+,14-,15-,17+/m1/s1
InChIKeyNEIIKBWBBCJSQU-PUYFHLGZSA-N
ChEBI Ontology
Outgoing Relation(s)
Isotenulin (CHEBI:6064) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
IsotenulinKEGG COMPOUND
Manual XrefsDatabases
C09487KEGG COMPOUND
C00003309KNApSAcK
Registry NumbersSources
CAS:10092-04-3KEGG COMPOUND