Structure Database (LMSD)

Common Name
Hoslundin
Systematic Name
Synonyms
LM ID
LMPK12110155
Formula
C23H18O7
Exact Mass
Calculate m/z
406.105255
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)
FMCPZMXUDWPSID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H18O7/c1-12-23(28-3)21(25)14(11-29-12)19-17(27-2)10-18-20(22(19)26)15(24)9-16(30-18)13-7-5-4-6-8-13/h4-11,26H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1C1C(=O)C(OC)=C(C)OC=1

Other Databases

METABOLOMICS ID
FL3FA9NC0002
PubChem CID
15726096

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 345.91
Topological Polar Surface Area 99.11
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 5.91
Molar Refractivity 111.61

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Updated at
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