Structure Database (LMSD)

Common Name
Lupinisoflavone C
Systematic Name
Synonyms
LM ID
LMPK12050182
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
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)
ASFWAKDAUOGISP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-20(2,24)17-6-11-5-10(3-4-15(11)26-17)13-9-25-16-8-12(21)7-14(22)18(16)19(13)23/h3-5,7-9,17,21-22,24H,6H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC=C4OC(C(O)(C)C)CC4=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAAANF0002
PubChem CID
44257284

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 304.04
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.42
Molar Refractivity 96.80

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Updated at
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