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Summary Geometry Related PDB entries

J6L

Summary

Name:	8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
Formula:	C23 H22 O6
Formal charge:	0
Formula weight:	394.417 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3
InChIKey	InChI	1.03	OBIUGMGQVQMVSK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O
SMILES	CACTVS	3.385	COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C

222415

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