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RHN

Summary
Name:4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Synonyms:Rhein
Rhubarb Yellow
Formula:C15 H8 O6
Formal charge:0
Formula weight:284.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
OpenEye OEToolkits1.7.04,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3
SMILES_CANONICALCACTVS3.370OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
SMILESCACTVS3.370OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
SMILESOpenEye OEToolkits1.7.0c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
InChIInChI1.03InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChIKeyInChI1.03FCDLCPWAQCPTKC-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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