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5-chlorobenzoate-cis-3,4-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM9994

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

formula

C₇H₆ClO₄

charge

-1

mass

188.99601

reference

InChIKey

GNYUNLRRAAQENB-NTSWFWBYSA-M

InChI

InChI=1S/C7H7ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12)/p-1/t5-,6+/m0/s1

SMILES

O=C([O-])C1=C[C@H](O)[C@H](O)C(Cl)=C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-11220 metacycM:CPD-11220	5-chlorobenzoate-cis-3,4-diol (3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate
seed.compound:cpd22893 seedM:cpd22893	1-carboxy-3-chloro-4,5-dihydroxycyclohexa-2,6-diene (3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate 3-chlorobenzoate-cis-4,5-diol 5-chlorobenzoate-cis-3,4-diol
seedM:M_cpd22893	secondary/obsolete/fantasy identifier