Structure database (LMSD)

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LM IDLMFA01170030
Common NameFloionic acid
Systematic Name9,10-dihydroxy-Octadecanedioic acid
SynonymsPhloionic acid
Exact Mass
346.2355 (neutral)    Calculate m/z:
FormulaC18H34O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesHydroxy fatty acids[FA0105], Octadecanoids[FA02]
LIPIDAT ID3002
PubChem CID236484
PlantFA ID10246
InChIKeyNQBSWIGTUPEPIH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)2
4/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
SMILESC(CCCCCCCC(O)C(O)CCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
367.42Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.91Molar
Refractivity
92.95