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3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate

PropertiesImage
MNX_IDMNXM145736 Image of MNXM145736
referencechebi:84354
formulaC9H9O4
global charge-1
mol weight181.167
InChIKeyHDHFXEPVMQZSFA-ZETCQYMHSA-M
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)/p-1/t7-/m0/s1
SMILESO=C([O-])C(=O)CC1=CC[C@@H](O)C=C1
MNX internals
InChI (mnx)InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)/t7-/m0/s1 Image of MNXM145736
SMILES (mnx)[CH:1]1=[CH:3][C@H:7]([OH:10])[CH2:4][CH:2]=[C:6]1[CH2:5][C:8]([C:9]([OH:12])=[O:13])=[O:11]
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

CHEBI:84354
chebi:84354
HDHFXEPVMQZSFA-ZETCQYMHSA-M 		3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate
(4R)-3,4-dihydro-4-hydroxyphenylpyruvate

CHEBI:85344
chebi:85344
HDHFXEPVMQZSFA-ZETCQYMHSA-N 		(4R)-3,4-dihydro-4-hydroxyphenylpyruvic acid
3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoic acid

kegg.compound:C20953
keggC:C20953
HDHFXEPVMQZSFA-ZETCQYMHSA-N 		3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate

metacyc.compound:CPD-17510
metacycM:CPD-17510
seed.compound:cpd34610
seedM:cpd34610
HDHFXEPVMQZSFA-ZETCQYMHSA-M 		3-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate

keggC:M_C20953
seedM:M_cpd34610 		secondary/obsolete/fantasy identifier