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4-methylgentisate

MNXM164310 is deprecated and replaced by MNXM164086
PropertiesImage
MNX_IDMNXM164086 Image of MNXM164086
referencemetacycM:CPD-18272
formulaC8H7O4
global charge-1
mol weight167.14
InChIKeyFZLOTQMQISYYEK-UHFFFAOYSA-M
InChIInChI=1S/C8H8O4/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,9-10H,1H3,(H,11,12)/p-1
SMILESCC1=C(O)C=C(C(=O)[O-])C(O)=C1
MNX internals
InChI (mnx)InChI=1/C8H8O4/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,9-10H,1H3,(H,11,12) Image of MNXM164086
SMILES (mnx)[CH3:1][C:4]1=[CH:2][C:7]([OH:10])=[C:5]([C:8](=[O:11])[OH:12])[CH:3]=[C:6]1[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18272
metacycM:CPD-18272
seed.compound:cpd33397
seedM:cpd33397
FZLOTQMQISYYEK-UHFFFAOYSA-M 		4-methylgentisate

sabiork.compound:28016
sabiorkM:28016
FZLOTQMQISYYEK-UHFFFAOYSA-N 		2,5-Dihydroxy-4-methylbenzoate

seedM:M_cpd33397 		secondary/obsolete/fantasy identifier