Structure Database (LMSD)

Common Name
Pongaglabol
Systematic Name
Synonyms
LM ID
LMPK12110162
Formula
C17H10O4
Exact Mass
Calculate m/z
278.05791
Status
Curated
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)
USQMGTCZKGEZKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O4/c18-12-8-14(10-4-2-1-3-5-10)21-17-11-6-7-20-15(11)9-13(19)16(12)17/h1-9,19H
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1C=COC=1C=C2O

Other Databases

METABOLOMICS ID
FL3FA9NF0001
PubChem CID
12778491

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 4
Rotatable Bonds 1
Van der Waals Molecular Volume 221.02
Topological Polar Surface Area 63.58
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.81
Molar Refractivity 79.46

Admin

Created at
-
Updated at
-