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Summary Geometry Related PDB entries

GFU

Summary

Name:	4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
Synonyms:	(+)-Lariciresinol
Formula:	C20 H24 O6
Formal charge:	0
Formula weight:	360.401 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[[(3~{R},4~{R},5~{S})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
InChIKey	InChI	1.03	MHXCIKYXNYCMHY-AUSJPIAWSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O)c(OC)c3)ccc1O
SMILES	CACTVS	3.385	COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O

218500

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