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CHEBI:3711 - Cinnamodial

ChEBI IDCHEBI:3711
ChEBI NameCinnamodial
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILES[H][C@@]12[C@H](OC(C)=O)C=C(C=O)[C@](O)(C=O)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3/t13-,14+,16+,17-/m1/s1
InChIKeyUKLMEFSRPRDOLD-YQFWSFKMSA-N
ChEBI Ontology
Outgoing Relation(s)
Cinnamodial (CHEBI:3711) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
CinnamodialKEGG COMPOUND
Manual XrefsDatabases
C09638KEGG COMPOUND
C00003117KNApSAcK
Registry NumbersSources
CAS:23599-45-3KEGG COMPOUND