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3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate

PropertiesImage
MNX_IDMNXM730695 Image of MNXM730695
referencechebi:60087
formulaC9H11O4
global charge-1
mol weight183.183
InChIKeyRKDFGWAXBBGKMR-APPZFPTMSA-M
InChIInChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/p-1/t7-,9+/m1/s1
SMILESO=C([O-])CCC1=CC=C[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m1/s1 Image of MNXM730695
SMILES (mnx)[CH:1]1=[CH:3][C@@H:7]([OH:10])[C@@H:9]([OH:13])[C:6]([CH2:4][CH2:5][C:8](=[O:11])[OH:12])=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60087
chebi:60087
RKDFGWAXBBGKMR-APPZFPTMSA-M 		3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propionate
3-[rel-(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate

metacyc.compound:CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL
metacycM:CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL
RKDFGWAXBBGKMR-APPZFPTMSA-M 		3-(5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol
cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol

CHEBI:60088
chebi:60088
RKDFGWAXBBGKMR-APPZFPTMSA-M 		3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionate
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propionate

CHEBI:48690
chebi:48690
RKDFGWAXBBGKMR-APPZFPTMSA-N 		3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid

envipath:...30f649403e35
envipathM:...30f649403e35
RKDFGWAXBBGKMR-APPZFPTMSA-M 		cis-3-(3-Carboxyethyl)-3,5-cyclohexadiene-1,2-diol

seed.compound:cpd08405
seedM:cpd08405
RKDFGWAXBBGKMR-APPZFPTMSA-M 		cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol
3-(5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate
3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
cechddd
cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol

seedM:M_cpd08405 		secondary/obsolete/fantasy identifier