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A1LYU

Summary
Name:4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Formula:C25 H18 O4
Formal charge:0
Formula weight:382.408 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1
InChIKeyInChI1.06YVAAPHRLEUACEA-QHCPKHFHSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)Oc2c1ccc3oc([C@@H](O)c4ccccc4)c(c5ccccc5)c23
SMILESCACTVS3.385CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=CC(=O)Oc2c1ccc3c2c(c(o3)[C@H](c4ccccc4)O)c5ccccc5
SMILESOpenEye OEToolkits2.0.7CC1=CC(=O)Oc2c1ccc3c2c(c(o3)C(c4ccccc4)O)c5ccccc5

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PDB entries from 2024-07-17

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