Structure Database (LMSD)

Common Name
Furocarpic acid
Systematic Name
8-(5-hexyl-furan-2-yl)-octanoic acid
Synonyms
  • 9,12-Epoxy-9,11-ODE
LM ID
LMFA01150001
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Exocarpos cupressiformis (#795994)
Magnoliopsida (#3398)
A unique furanoid fatty acid from exocarpus seed oil,
Tetrahedron Letts, 1966

String Representations

InChiKey (Click to copy)
SZNVIDWMWMWUCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C1C=C(CCCCCCCC(=O)O)OC=1CCCCCC

Other Databases

KEGG ID
C13798
HMDB ID
HMDB0112099
CHEBI ID
34491
PubChem CID
395943

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 85.60

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Created at
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Updated at
25th Nov 2024