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3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid

PropertiesImage
MNX_IDMNXM730694 Image of MNXM730694
referencechebi:10472
formulaC9H12O4
global charge0
mol weight184.191
InChIKeyRKDFGWAXBBGKMR-IONNQARKSA-N
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)/t7-,9+/m0/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+/m0/s1 Image of MNXM730694
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) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:10472
chebi:10472
RKDFGWAXBBGKMR-IONNQARKSA-N 		3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid
cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol

CHEBI:60089
chebi:60089
RKDFGWAXBBGKMR-IONNQARKSA-M 		3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionate
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propionate

kegg.compound:C11588
keggC:C11588
RKDFGWAXBBGKMR-IONNQARKSA-N 		cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate
cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol

keggC:M_C11588 		secondary/obsolete/fantasy identifier