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FX3

Summary
Name:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
Formula:C15 H18 O8
Formal charge:0
Formula weight:326.299 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
OpenEye OEToolkits1.5.0[(2S,3R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC1OC(O)C(O)C1O)\C=C\c2ccc(O)c(OC)c2
SMILES_CANONICALCACTVS3.341COc1cc(/C=C/C(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H]2O)ccc1O
SMILESCACTVS3.341COc1cc(C=CC(=O)OC[CH]2O[CH](O)[CH](O)[CH]2O)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O
SMILESOpenEye OEToolkits1.5.0COc1cc(ccc1O)C=CC(=O)OCC2C(C(C(O2)O)O)O
InChIInChI1.03InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1
InChIKeyInChI1.03BDEXCUQHBTVULQ-NNDRJBMQSA-N

224931

数据于2024-09-11公开中

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