Structure Database (LMSD)

Common Name
Lupinisoflavone B
Systematic Name
Synonyms
LM ID
LMPK12050279
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)
MPYLJLHMKWTFTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-14(27-16)7-15-17(18(11)23)19(24)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=C(O)C=C(O)C=C3)=COC=1C=2

Other Databases

METABOLOMICS ID
FLIAALNF0003
PubChem CID
632835

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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