Systematic / IUPAC Name: (2S,3R,4R,5S)-Hexane-1,2,3,4,5,6-hexol
ID: Reference2573
Other Names:
Cordycepic acid;
Iso-sorbide;
Isotol;
Hexahydroxyhexane
Formula: C6H14O6
Class: Endogenous Metabolites
L-Iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 212 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/16/2016 12:13:39 PM |
InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 |
InChI Key | FBPFZTCFMRRESA-UNTFVMJOSA-N |
Canonical SMILES | C(C(C(C(C(CO)O)O)O)O)O |
CAS | 488459 |
Splash | |
Other Names |
Cordycepic acid; Iso-sorbide; Isotol; Hexahydroxyhexane |