Structure Database (LMSD)

Common Name
Demethyltorosaflavone C
Systematic Name
Synonyms
LM ID
LMPK12110732
Formula
C21H14O8
Exact Mass
Calculate m/z
394.06887
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)
VILOWVUOQBNWPP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H14O8/c1-7-15-17-14(29-21(15)20(27)18(7)25)6-13-16(19(17)26)11(24)5-12(28-13)8-2-3-9(22)10(23)4-8/h2-6,15,21-23,25-26H,1H3
SMILES (Click to copy)
C12OC3C(=O)C(O)=C(C)C3C1=C(O)C1C(=O)C=C(C3C=C(O)C(O)=CC=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL3FACNR0001
PubChem CID
44258149

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 321.28
Topological Polar Surface Area 139.50
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 4.02
Molar Refractivity 101.03

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Updated at
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