BMRB

Biological Magnetic Resonance Data Bank


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

Harmalol synonyms

harmalol; Harmidol; Harmalol hydrochloride dihydrate

Wikipedia:

Graphical representations:

harmalol

View large 3D structure

Molecular Formula: C12H12N2O

Natural Isotopic Abundance Mass: 200.23648

Mono-Isotopic Molecular Masses:

  • C12N14: 200.0949630177
  • C13N14: 212.1352210713
  • C12N15: 202.0890328041
  • C13N15: 214.1292908577

InChI string: InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,13-14H,4-5H2,1H3

PubChem Compound (CID): 5353656
CAS Registry number: 6028-00-8
MMCD: cq_03718
MDL number: MFCD00150053
EC Number: 227-898-9
CAS Registry number: 525-57-5
Sigma-Aldrich: H125_ALDRICH
ChemSpider: 4510170
KEGG Compound ID: C06537
BioCyc: CPD-9938

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)