Structure Database (LMSD)

Common Name
Pumilaisoflavone D
Systematic Name
Synonyms
LM ID
LMPK12050271
Formula
C22H20O7
Exact Mass
Calculate m/z
396.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GLSGFPDIXHVCDU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O7/c1-22(2)6-5-12-14(29-22)9-15-18(19(12)23)20(24)13(10-28-15)11-7-16(26-3)21(25)17(8-11)27-4/h5-10,23,25H,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC(OC)=C(O)C(OC)=C3)=COC=1C=2

Other Databases

METABOLOMICS ID
FLIAAINP0001
PubChem CID
14282794

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 344.79
Topological Polar Surface Area 100.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.26
Molar Refractivity 108.71

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Updated at
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