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1'-acetoxychavicol acetate

PropertiesImage
MNX_IDMNXM31967 Image of MNXM31967
referencechebi:469
formulaC13H14O4
global charge0
mol weight234.251
InChIKeyJAMQIUWGGBSIKZ-ZDUSSCGKSA-N
InChIInChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
SMILESC=C[C@H](OC(C)=O)C1=CC=C(OC(C)=O)C=C1
MNX internals
InChI (mnx)InChI=1/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1 Image of MNXM31967
SMILES (mnx)[CH2:1]=[CH:4][C@@H:13]([C:11]1=[CH:6][CH:8]=[C:12]([O:16][C:9]([CH3:2])=[O:14])[CH:7]=[CH:5]1)[O:17][C:10]([CH3:3])=[O:15]
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:469
chebi:469
JAMQIUWGGBSIKZ-ZDUSSCGKSA-N 		1'-acetoxychavicol acetate
(1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
(alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol
1'-Acetoxychavicol acetate

seed.compound:cpd07314
seedM:cpd07314
kegg.compound:C10426
keggC:C10426
JAMQIUWGGBSIKZ-ZDUSSCGKSA-N 		1'-Acetoxychavicol acetate
hmdb:HMDB0041005
JAMQIUWGGBSIKZ-UHFFFAOYSA-N 		1'-Acetoxychavicol acetate
(1S)-1-[4-(Acetyloxy)phenyl]prop-2-en-1-yl acetate
(AlphaS)-4-(acetyloxy)-alpha-ethenylbenzenemethanol
1'-Acetoxychavicol acetic acid
1's-1'-Acetoxychavicol acetate
1's-Acetoxychavicol acetic acid
1-[4-(Acetyloxy)phenyl]prop-2-en-1-yl acetic acid
1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
Galangal acetate
hmdb:HMDB0041006
JAMQIUWGGBSIKZ-ZDUSSCGKSA-N 		1'-Acetoxychavicol
(1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
(AlphaS)-4-(acetyloxy)-a-ethenylbenzenemethanol
(AlphaS)-4-(acetyloxy)-alpha-ethenylbenzenemethanol
1'-Acetoxychavicol acetic acid
1'-acetoxychavicol acetate

hmdb:HMDB41005
hmdb:HMDB41006
keggC:M_C10426
seedM:M_cpd07314 		secondary/obsolete/fantasy identifier