In-Silico Structure Database (LMISSD)

Common Name
(9S,12R,15R)-d10-13-PhytoF[13S,16R]
Systematic Name
(9S,12R,E)-12-((2S,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
LM ID
LMISFA02040023
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
344.219890
Formula
C18H32O6
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Phytofurans [FA0204]

String Representations

InChiKey (Click to copy)
LWIIWULNZCFOCA-GLSSZAEYSA-N
InChi (Click to copy)
1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m0/s1
SMILES (Click to copy)
CC[C@@H]1O[C@H](C[C@@H]1O)[C@@H](O)/C=C/[C@H](O)CCCCCCCC(O)=O

References

Other Databases