Structure Database (LMSD)

Common Name
Peltogynin
Systematic Name
Synonyms
LM ID
LMPK12113391
Formula
C16H10O6
Exact Mass
Calculate m/z
298.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QBUSUQDEAYFGJG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,17-19H,6H2
SMILES (Click to copy)
C1(O)=CC2OC3C4C=C(O)C(O)=CC=4COC=3C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FL5FPTNS0005
PubChem CID
12314036

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 234.84
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.37
Molar Refractivity 77.35

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Updated at
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