Structure Database (LMSD)

Common Name
Lawinal
Systematic Name
Synonyms
LM ID
LMPK12140194
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OPZHOLABNKMTHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-9-15(20)11(8-18)16(21)14-12(19)7-13(22-17(9)14)10-5-3-2-4-6-10/h2-6,8,13,20-21H,7H2,1H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1C=O

Other Databases

METABOLOMICS ID
FL2FA9NM0008
PubChem CID
597204

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 266.61
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.93
Molar Refractivity 78.65

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Updated at
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