ZH1

methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate

Created:	2010-04-12
Last modified:	2011-06-04

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1 entries where ZH1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	5
Bond Count	52
Aromatic Bond Count	13

2D diagram of ZH1

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Chemical Component Summary
Name	methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate
Systematic Name (OpenEye OEToolkits)	methyl 3-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate
Formula	C₂₀ H₂₂ O₈
Molecular Weight	390.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC)c1cccc(c1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
SMILES	CACTVS	3.370	COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
SMILES	OpenEye OEToolkits	1.7.0	COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.370	COC(=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C20H22O8/c1-26-19(25)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey	InChI	1.03	GDSLRMGPZWIAEZ-JGLNRKDHSA-N

Related Resource References

Resource Name	Reference
PubChem	45490027
ChEMBL	CHEMBL1171277

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