BMRB

Biological Magnetic Resonance Data Bank


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

(+)-Pulegone

Graphical representations:

Pulegone

View large 3D structure

Molecular Formula: C10H16O

Natural Isotopic Abundance Mass: 152.23344

Mono-Isotopic Molecular Masses:

  • C12N14: 152.1201151357
  • C13N14: 162.1536635137
  • C12N15: 152.1201151357
  • C13N15: 162.1536635137

InChI string: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1

PubChem Compound (CID): 442495
CAS Registry number: 89-82-7
MMCD: cq_06562
MDL number: MFCD00063000
EC Number: 201-943-2
CAS Registry number: 89-82-7
Sigma-Aldrich: 82569_FLUKA
ChEBI: CHEBI:35596
LipidMAPS: LMPR0102090025
BioCyc: CPD-4942
KEGG Compound ID: C09893

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)