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Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol

MNXM1636 is deprecated and here replaced by MNXM730693
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730693 Image of MNXM730693
referencebiggM:cechddd
formulaC9H11O4
global charge-1
mol weight183.183
InChIKeyRKDFGWAXBBGKMR-UHFFFAOYSA-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
SMILESO=C([O-])CCC1=CC=CC(O)C1O
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? Image of MNXM730693
SMILES (mnx)[CH:1]1=[CH:3][CH:7]([OH:10])[CH: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) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:cechddd
biggM:cechddd
RKDFGWAXBBGKMR-UHFFFAOYSA-M 		Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol

vmhM:cechddd
vmhmetabolite:cechddd
RKDFGWAXBBGKMR-UHFFFAOYSA-M 		cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol

biggM:M_cechddd
vmhM:M_cechddd 		secondary/obsolete/fantasy identifier