Structure Database (LMSD)

Common Name
Hoslundal
Systematic Name
Synonyms
LM ID
LMPK12110172
Formula
C18H14O5
Exact Mass
Calculate m/z
310.084125
Status
Curated
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)
XGCZMWGDBJLFPV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O5/c1-22-15-10-16-17(18(21)12(15)7-8-19)13(20)9-14(23-16)11-5-3-2-4-6-11/h2-6,8-10,21H,7H2,1H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1CC=O

Other Databases

CHEBI ID
189229
METABOLOMICS ID
FL3FA9NM0003
PubChem CID
15726097

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 270.37
Topological Polar Surface Area 76.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.82
Molar Refractivity 86.01

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Updated at
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