Structure Database (LMSD)

Common Name
Primetin
Systematic Name
Synonyms
LM ID
LMPK12110098
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
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)
KYLWJAUHHPTDDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8,16-17H
SMILES (Click to copy)
C1=C(O)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

KEGG ID
C10121
CHEBI ID
8410
METABOLOMICS ID
FL3F99NS0002
PubChem CID
11055

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 212.32
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.77
Molar Refractivity 71.36

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