Structure Database (LMSD)

Common Name
Hosloppin
Systematic Name
Synonyms
LM ID
LMPK12110186
Formula
C22H16O7
Exact Mass
Calculate m/z
392.089605
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)
HYUWNBOIDCNLJZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H16O7/c1-11-20(24)21(25)13(10-28-11)18-16(27-2)9-17-19(22(18)26)14(23)8-15(29-17)12-6-4-3-5-7-12/h3-10,24,26H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C=C(OC)C(C1C(=O)C(O)=C(C)OC=1)=C2O

Other Databases

METABOLOMICS ID
FL3FA9NR0001
PubChem CID
44257646

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 328.61
Topological Polar Surface Area 110.11
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.61
Molar Refractivity 106.73

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Updated at
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