CHEBI:3711 - Cinnamodial

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cinnamodial
ChEBI ID CHEBI:3711
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H24O5
Net Charge 0
Average Mass 308.370
Monoisotopic Mass 308.16237
InChI InChI=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
InChIKey UKLMEFSRPRDOLD-YQFWSFKMSA-N
SMILES CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12
ChEBI Ontology
Outgoing Cinnamodial (CHEBI:3711) is a tertiary alcohol (CHEBI:26878)
Synonym Source
Cinnamodial KEGG COMPOUND
Manual Xrefs Databases
C00003117 KNApSAcK
C09638 KEGG COMPOUND
View more database links
Registry Number Type Source
23599-45-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014