Structure Database (LMSD)

Systematic Name
5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
Synonyms
LM ID
LMPK12111428
Formula
C18H16O8
Exact Mass
Calculate m/z
360.08452
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
QGUMVNMHPUQDRV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O8/c1-23-10-6-4-5-8(19)12(10)11-7-9(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(O)=CC=CC=3OC)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FG8NS0006
PubChem CID
15101162

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 299.38
Topological Polar Surface Area 118.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 3.50
Molar Refractivity 92.68

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Updated at
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