In-Silico Structure Database (LMISSD)

Common Name
ent-9-epi-9-D1t-PhytoP
Systematic Name
(S,E)-11-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
LM ID
LMISFA02030032
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
326.209325
Formula
C18H30O5
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]
Phytoprostanes [FA0203]

String Representations

InChiKey (Click to copy)
GEVZHBGQVSRMPD-WFRUSHSBSA-N
InChi (Click to copy)
1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17+/m0/s1
SMILES (Click to copy)
CC[C@@H]1[C@H](/C=C/[C@H](O)CCCCCCCC(O)=O)[C@@H](O)CC1=O

References

Other Databases