Structure Database (LMSD)

Common Name
Matteuorien
Systematic Name
Synonyms
LM ID
LMPK12110175
Formula
C17H14O4
Exact Mass
Calculate m/z
282.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
IHCSYRDYLHMMRU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-8,19-20H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C(C)=C(O)C(C)=C2O

Other Databases

CHEBI ID
193290
METABOLOMICS ID
FL3FA9NM0006
PubChem CID
10401497

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 246.92
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.39
Molar Refractivity 80.83

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Updated at
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