Structure Database (LMSD)

Common Name
Ponganone XI
Systematic Name
Synonyms
LM ID
LMPK12111543
Formula
C18H12O4
Exact Mass
Calculate m/z
292.07356
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)
NEPXOYCAYKISIF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O4/c1-20-18-16(19)13-9-12-7-8-21-14(12)10-15(13)22-17(18)11-5-3-2-4-6-11/h2-10H,1H3
SMILES (Click to copy)
C12=CC3C=COC=3C=C1OC(C1C=CC=CC=1)=C(OC)C2=O

Other Databases

CHEBI ID
196231
METABOLOMICS ID
FL5F19NF0002
PubChem CID
15160714

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 238.32
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.11
Molar Refractivity 84.35

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Updated at
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