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Summary Geometry Related PDB entries

AIY

Summary

Name:	(9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one
Synonyms:	(+)-Usnic acid (+)-Usniacin
Formula:	C18 H16 O7
Formal charge:	0
Formula weight:	344.315 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(9~{b}~{R})-2,6-diethanoyl-8,9~{b}-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1
InChIKey	InChI	1.03	WEYVVCKOOFYHRW-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O
SMILES	CACTVS	3.385	CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C]2(C)C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(c2c(c1O)[C@@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c2c(c1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O

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