Structure database (LMSD)

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LM IDLMFA01070027
Common Name8,9-Epoxy-2Z-decene-4,6-diynoic acid
Systematic Name8,9-Epoxy-2Z-decene-4,6-diynoic acid
Synonyms8,9-Epoxy-2-decene-4,6-diynoic acid, (Z)-; 8,9-Epoxy-Z-Matricaric acid; 8(9)-
Epoxy-2Z-decene-4,6-diynoic acid
Exact Mass
176.0473 (neutral)    Calculate m/z:
FormulaC10H8O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 10:6;O
PubChem CID131839786
PlantFA ID10511
InChIKeyUBMRQHZPEXIXEJ-ALCCZGGFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H8O3/c1-8-9(13-8)6-4-2-3-5-7-10(11)12/h5,7-9H,1H3,(H,11,12)/b7-5-
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SMILES
C(/C=C\C#CC#CC1OC1C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
179.73Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP0.99Molar
Refractivity
47.69