Structure Database (LMSD)

Common Name
3'-Methoxypongapin
Systematic Name
Synonyms
LM ID
LMPK12111576
Formula
C20H14O7
Exact Mass
Calculate m/z
366.073955
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
VKSKFMRCZHZMHZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H14O7/c1-22-14-7-10(8-15-19(14)26-9-25-15)17-20(23-2)16(21)12-3-4-13-11(5-6-24-13)18(12)27-17/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC=1C1OC(C3C=C(OC)C4OCOC=4C=3)=C(OC)C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FL5F1GNF0001
PubChem CID
15838767

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 286.93
Topological Polar Surface Area 84.41
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.85
Molar Refractivity 97.03

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Updated at
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