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F00

Summary
Name:(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol
Formula:C17 H32 O6
Formal charge:0
Formula weight:332.432 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1
InChIKeyInChI1.03YZRNUMHABGDGTN-MTSZKFMLSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H](O)[C@H](O)[C@@H](OCCCCCCCCCC=C)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O
SMILESOpenEye OEToolkits2.0.7C=CCCCCCCCCCOC1C(C(OC(C1O)O)CO)O

223790

数据于2024-08-14公开中

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