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R4G

Summary
Name:Resveratrol-4'-O-glucuronide
Formula:C20 H20 O9
Formal charge:0
Formula weight:404.367 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(2S,3S,4S,5R,6S)-6-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
InChIKeyInChI1.03CDEBVTGYVFHDMA-OTPOQTMVSA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc2ccc(cc2)/C=C/c3cc(O)cc(O)c3
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)C=Cc3cc(O)cc(O)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C=Cc2cc(cc(c2)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O

222415

PDB entries from 2024-07-10

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