Structure Database (LMSD)

Common Name
Phloionolic acid
Systematic Name
9,10,18-trihydroxy-octadecanoic acid
Synonyms
  • Aleutiric acid
  • Floionolic acid
LM ID
LMFA02000147
Status
Active
Exact Mass
Calculate m/z
332.256275
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OISFHODBOQNZAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
SMILES (Click to copy)
C(O)(CCCCCCCCO)C(O)CCCCCCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 361.27
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.10
Molar Refractivity 92.89

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Created at
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Updated at
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