Structure Database (LMSD)

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

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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