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5-DEHYDROMIRIMIDE;TRANS-2-[3-(2,3-DIHYDROXYPHENYLPROPENYL)-AMINO]-3,5-DIHYDROXYBENZOIC-ACID
SpectraBase Compound ID 6WDs4BrZmaD
InChI InChI=1S/C16H13NO7/c18-9-6-10(16(23)24)15(13(21)7-9)17-14(22)4-2-8-1-3-11(19)12(20)5-8/h1-7,18-21H,(H,17,22)(H,23,24)/b4-2+
InChIKey MCISILZJOPUTBR-DUXPYHPUSA-N
Mol Weight 331.28 g/mol
Molecular Formula C16H13NO7
Exact Mass 331.069202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DmHYVeoM8c
Name 5-DEHYDROMIRIMIDE;TRANS-2-[3-(2,3-DIHYDROXYPHENYLPROPENYL)-AMINO]-3,5-DIHYDROXYBENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13NO7
InChI InChI=1S/C16H13NO7/c18-9-6-10(16(23)24)15(13(21)7-9)17-14(22)4-2-8-1-3-11(19)12(20)5-8/h1-7,18-21H,(H,17,22)(H,23,24)/b4-2+
InChIKey MCISILZJOPUTBR-DUXPYHPUSA-N
Literature Reference Author A.BLAAKMEER,A.STORK,A.VANVELDHUIZEN,T.A.VANBEEK,A.DEGROOT,J. J.A.VANLOON,L.M.SCHO
Literature Reference Citation J.NAT.PROD.,57,90(1994)
Literature Reference DOI 10.1021/np50103a013
Molecular Weight 331.282 g/mol
Solvent CD3OD
Source File Reference UWCS17960