BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic Acid

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic Acid synonyms

Mycophenolic acid

Wikipedia:

Graphical representations:

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid image

Molecular Formula: C17H20O6

Natural Isotopic Abundance Mass: 320.3371

Mono-Isotopic Molecular Masses:

  • C12N14: 320.125988360001
  • C13N14: 337.183020606001
  • C12N15: 320.125988360001
  • C13N15: 337.183020606001

InCHi String: InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   446541
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   MOA
Miscellaneous Databases and IDs:   MMCD cq_14375

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.