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5-(3,4-Methylenedioxyphenyl)pentanoic acid

PropertiesImage
MNX_IDMNXM118142 Image of MNXM118142
referencechebi:174137
formulaC12H14O4
global charge0
mol weight222.24
InChIKeyVSLFLWQBWGEPBW-UHFFFAOYSA-N
InChIInChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)
SMILESO=C(O)CCCCC1=CC=C2OCOC2=C1
MNX internals
InChI (mnx)InChI=1/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14) Image of MNXM118142
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:12](=[O:13])[OH:14])[CH2:3][C:9]1=[CH:7][C:11]2=[C:10]([CH:6]=[CH:5]1)[O:15][CH2:8][O:16]2
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:174137
chebi:174137
VSLFLWQBWGEPBW-UHFFFAOYSA-N
5-(3,4-Methylenedioxyphenyl)pentanoic acid
5-(1,3-benzodioxol-5-yl)pentanoic acid
hmdb:HMDB0034056
VSLFLWQBWGEPBW-UHFFFAOYSA-N
5-(3,4-Methylenedioxyphenyl)pentanoic acid
1,3-Benzodioxole-5-pentanoic acid, 9ci
5-(2H-1,3-Benzodioxol-5-yl)pentanoate
5-(2H-1,3-benzodioxol-5-yl)pentanoic acid
5-(3,4-Methylenedioxyphenyl)pentanoate
Piperhydronic acid
Tetrahydropiperinic acid

envipath:...4c29eb20def6
envipathM:...4c29eb20def6
VSLFLWQBWGEPBW-UHFFFAOYSA-M
compound 0053561

hmdb:HMDB34056
secondary/obsolete/fantasy identifier