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5SY

Summary
Name:[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
Formula:C19 H22 O9
Formal charge:0
Formula weight:394.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.4[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H22O9/c1-10(21)26-17-16(15(22)14(8-20)28-19(17)24-2)25-9-12-7-11-5-3-4-6-13(11)27-18(12)23/h3-7,14-17,19-20,22H,8-9H2,1-2H3/t14-,15+,16+,17-,19+/m1/s1
InChIKeyInChI1.03CHNUXPKWFBMLRQ-RDHIYWLCSA-N
SMILES_CANONICALCACTVS3.385CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCC2=Cc3ccccc3OC2=O)[C@H]1OC(C)=O
SMILESCACTVS3.385CO[CH]1O[CH](CO)[CH](O)[CH](OCC2=Cc3ccccc3OC2=O)[CH]1OC(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O
SMILESOpenEye OEToolkits2.0.4CC(=O)OC1C(C(C(OC1OC)CO)O)OCC2=Cc3ccccc3OC2=O

224931

数据于2024-09-11公开中

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