Structure Database (LMSD)

Common Name
Strobochrysin
Systematic Name
5,7-Dihydroxy-6-methylflavone
Synonyms
LM ID
LMPK12110170
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
Status
Curated
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)
XRJWLVUOUWIPHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
193244
METABOLOMICS ID
FL3FA9NM0001
PubChem CID
11536318

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.08
Molar Refractivity 76.09

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Updated at
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