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

Properties

Image

Occurences in reactions

MNX_ID

MNXM730695

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₉H₁₁O₄

charge

-1

mass

183.06628

reference

chebi:60087

InChIKey

RKDFGWAXBBGKMR-APPZFPTMSA-M

InChI

InChI=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

SMILES

O=C([O-])CCC1=CC=C[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60087 chebi:60087	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	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	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	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	cis-3-(3-Carboxyethyl)-3,5-cyclohexadiene-1,2-diol
seed.compound:cpd08405 seedM:cpd08405	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