Structure Database (LMSD)

Common Name
Lupinisoflavone D
Systematic Name
Synonyms
LM ID
LMPK12050277
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
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)
FEZXFNWSKGIOKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-20(2,25)16-7-11-14(27-16)4-3-10(18(11)23)12-8-26-15-6-9(21)5-13(22)17(15)19(12)24/h3-6,8,16,21-23,25H,7H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC=C4OC(C(O)(C)C)CC4=C3O)=COC=2C=1

Other Databases

CHEBI ID
186546
METABOLOMICS ID
FLIAALNF0001
PubChem CID
5378771

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 312.83
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.12
Molar Refractivity 98.46

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Updated at
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