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90R

Summary
Name:5-hydroxy-2-methylnaphthalene-1,4-dione
Synonyms:plumbagin
Formula:C11 H8 O3
Formal charge:0
Formula weight:188.179 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-hydroxy-2-methylnaphthalene-1,4-dione
OpenEye OEToolkits2.0.62-methyl-5-oxidanyl-naphthalene-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1c(cccc1O)C(C(C)=C2)=O
InChIInChI1.03InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChIKeyInChI1.03VCMMXZQDRFWYSE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)c2c(O)cccc2C1=O
SMILESCACTVS3.385CC1=CC(=O)c2c(O)cccc2C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC1=CC(=O)c2c(cccc2O)C1=O
SMILESOpenEye OEToolkits2.0.6CC1=CC(=O)c2c(cccc2O)C1=O

217705

PDB entries from 2024-03-27

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