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(S,E)-Lyratol propanoate

PropertiesImage
MNX_IDMNXM115496 Image of MNXM115496
referencechebi:143057
formulaC13H20O2
global charge0
mol weight208.301
InChIKeyUYACSVLHQPEITQ-DHZHZOJOSA-N
InChIInChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+
SMILESC=CC(/C=C(\C)COC(=O)CC)C(=C)C
MNX internals
InChI (mnx)InChI=1/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+/t12? Image of MNXM115496
SMILES (mnx)[CH2:1]=[CH:6][CH:12](/[CH:8]=[C:11](\[CH3:5])[CH2:9][O:15][C:13]([CH2:7][CH3:2])=[O:14])[C:10](=[CH2:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143057
chebi:143057
UYACSVLHQPEITQ-DHZHZOJOSA-N 		(S,E)-Lyratol propanoate
hmdb:HMDB0031869
UYACSVLHQPEITQ-DHZHZOJOSA-N 		(S,E)-Lyratol propanoate
(2E)-4-Ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoic acid
(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl propanoate
(S,e)-Lyratol propanoic acid

hmdb:HMDB31869 		secondary/obsolete/fantasy identifier