Structure Database (LMSD)

Common Name
Serratin
Systematic Name
5,7-Dihydroxy-4-phenylcoumarin
Synonyms
LM ID
LMPK12100031
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Neoflavonoids [PK1210]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HUQKUJNSVHEHIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
SMILES (Click to copy)
OC1C=C(O)C2C(C3C=CC=CC=3)=CC(=O)OC=2C=1

Other Databases

CHEBI ID
197005
METABOLOMICS ID
FLNAA9NS0001
PubChem CID
5398649

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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Updated at
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