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Summary Geometry Related PDB entries

LU2

Summary

Name:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Synonyms:	Luteolin
Formula:	C15 H10 O6
Formal charge:	0
Formula weight:	286.236 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
OpenEye OEToolkits	1.7.6	2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
InChI	InChI	1.03	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKey	InChI	1.03	IQPNAANSBPBGFQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
SMILES	CACTVS	3.370	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

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