BMRB

Biological Magnetic Resonance Data Bank


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

Trans-Nerolidol

Graphical representations:

trans-Nerolidol image

View large 3D structure

Molecular Formula: C15H26O

Natural Isotopic Abundance Mass: 222.36634

Mono-Isotopic Molecular Masses:

  • C12N14: 222.198365452
  • C13N14: 237.248688022
  • C12N15: 222.198365452
  • C13N15: 237.248688022

InChI String: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   5281525
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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