CHEBI:6064 - Isotenulin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isotenulin
ChEBI ID CHEBI:6064
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H22O5
Net Charge 0
Average Mass 306.354
Monoisotopic Mass 306.14672
InChI InChI=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
InChIKey NEIIKBWBBCJSQU-PUYFHLGZSA-N
SMILES C[C@@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H]2OC(C)=O)OC1=O
ChEBI Ontology
Outgoing Isotenulin (CHEBI:6064) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Isotenulin KEGG COMPOUND
Manual Xrefs Databases
C00003309 KNApSAcK
C09487 KEGG COMPOUND
View more database links
Registry Number Type Source
10092-04-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014