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EMO

Summary
Name:3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
Synonyms:EMODIN
Formula:C15 H10 O5
Formal charge:0
Formula weight:270.237 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,3,8-trihydroxy-6-methylanthracene-9,10-dione
OpenEye OEToolkits1.5.01,3,8-trihydroxy-6-methyl-anthracene-9,10-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(O)cc(cc1C(=O)c3c2c(O)cc(O)c3)C
SMILES_CANONICALCACTVS3.341Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
SMILESCACTVS3.341Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
SMILESOpenEye OEToolkits1.5.0Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
InChIInChI1.03InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKeyInChI1.03RHMXXJGYXNZAPX-UHFFFAOYSA-N

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PDB entries from 2024-03-27

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