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HC8

Summary
Name:1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
Formula:C16 H16 O5
Formal charge:0
Formula weight:288.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
OpenEye OEToolkits1.5.01-(3-ethanoyl-4,5-dihydroxy-7-methoxy-naphthalen-2-yl)propan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2
SMILES_CANONICALCACTVS3.341COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1
SMILESCACTVS3.341COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC
SMILESOpenEye OEToolkits1.5.0CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC
InChIInChI1.03InChI=1S/C16H16O5/c1-8(17)4-10-5-11-6-12(21-3)7-13(19)15(11)16(20)14(10)9(2)18/h5-7,19-20H,4H2,1-3H3
InChIKeyInChI1.03BONGITCDOWZART-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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