Structure Database (LMSD)

Common Name
Nordalbergin
Systematic Name
6,7-Dihydroxy-4-phenylcoumarin
Synonyms
LM ID
LMPK12100008
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
TZRNJQYCOSMOJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,16-17H
SMILES (Click to copy)
OC1C(O)=CC2C(C3C=CC=CC=3)=CC(=O)OC=2C=1

Other Databases

CHEBI ID
183558
METABOLOMICS ID
FLNA29NS0004
PubChem CID
5320203

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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