Structure Database (LMSD)

Common Name
Lupinalbin A
Systematic Name
Synonyms
LM ID
LMPK12160012
Formula
C15H8O6
Exact Mass
Calculate m/z
284.03209
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BBBAWACESCACAP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-15-12(8)14(19)13-9(18)3-7(17)5-11(13)21-15/h1-5,16-18H
SMILES (Click to copy)
C1(O)=CC2OC3OC4C(=CC=C(O)C=4)C=3C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIG1LNS0001
PubChem CID
5324349

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 4
Rotatable Bonds 0
Van der Waals Molecular Volume 206.64
Topological Polar Surface Area 104.04
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.71
Molar Refractivity 74.86

Admin

Created at
-
Updated at
-