Structure database (LMSD)

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LM IDLMFA07040110
Common NameIeodomycin B
Systematic Name3S,dihydroxy-8-methyl-8E,10-undecadien-5R-olide
Synonyms-
Exact Mass
210.1256 (neutral)    Calculate m/z:
FormulaC12H18O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 12:3;O
PubChem CID53387505
CHEBI ID69906
InChIKeyUFMCBVUOEQAWAI-LTJOXERKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H18O3/c1-3-4-9(2)5-6-11-7-10(13)8-12(14)15-11/h3-4,10-11,13H,1,5-8H2,2H3/b9-4+/t10-,11+/m0/s1
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SMILES
[C@@H]1(OC(=O)C[C@@H](O)C1)CC/C(/C)=C/C=C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
222.25Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.54Molar
Refractivity
59.33