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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Sequiterpene Lactone 326

Sequiterpene Lactone 326 synonyms

Wikipedia:

Graphical representations:

Sequiterpene lactone 326 image

View large 3D structure

Molecular Formula: C15H20O4

Natural Isotopic Abundance Mass: 264.3169

Mono-Isotopic Molecular Masses:

  • C12N14: 264.13615912
  • C13N14: 279.18648169
  • C12N15: 264.13615912
  • C13N15: 279.18648169

InChI String: InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)19-11)7-14(3)12(16)4-5-15(8,14)18/h8,10-11,18H,2,4-7H2,1,3H3/t8-,10+,11+,14-,15+/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   338659
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