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Summary Geometry Related PDB entries

FL8

Summary

Name:	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE
Formula:	C16 H10 Br2 O4
Formal charge:	0
Formula weight:	426.056 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one
OpenEye OEToolkits	1.5.0	2-(3,5-dibromo-4-hydroxy-phenyl)-6-hydroxy-3-methyl-chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C)cc(Br)c3O
SMILES_CANONICAL	CACTVS	3.341	CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3
SMILES	CACTVS	3.341	CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br
InChI	InChI	1.03	InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3
InChIKey	InChI	1.03	GKDYOXMZSXVKPP-UHFFFAOYSA-N

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