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HID

Summary
Name:(5-hydroxy-1H-indol-3-yl)acetic acid
Synonyms:5-hydroxy-indole acetate
Formula:C10 H9 N O3
Formal charge:0
Formula weight:191.183 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.12-(5-hydroxy-1H-indol-3-yl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC(=O)Cc1c[nH]c2ccc(O)cc12
SMILESCACTVS3.352OC(=O)Cc1c[nH]c2ccc(O)cc12
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(cc1O)c(c[nH]2)CC(=O)O
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1O)c(c[nH]2)CC(=O)O
InChIInChI1.03InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKeyInChI1.03DUUGKQCEGZLZNO-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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