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RVB

Summary
Name:3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
Formula:C13 H14 O6
Formal charge:0
Formula weight:266.247 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
OpenEye OEToolkits1.7.63-[(Z)-4-methyl-1-oxidanyl-1-oxidanylidene-pent-2-en-2-yl]oxy-2-oxidanyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc(O/C(C(=O)O)=C\C(C)C)c1O
InChIInChI1.03InChI=1S/C13H14O6/c1-7(2)6-10(13(17)18)19-9-5-3-4-8(11(9)14)12(15)16/h3-7,14H,1-2H3,(H,15,16)(H,17,18)/b10-6-
InChIKeyInChI1.03JVNCGLFIPFSTSG-POHAHGRESA-N
SMILES_CANONICALCACTVS3.370CC(C)\C=C(/Oc1cccc(C(O)=O)c1O)C(O)=O
SMILESCACTVS3.370CC(C)C=C(Oc1cccc(C(O)=O)c1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(C)C=C(C(=O)O)Oc1cccc(c1O)C(=O)O

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PDB entries from 2024-08-07

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