Structure Database (LMSD)

Systematic Name
5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone
Synonyms
LM ID
LMPK12111430
Formula
C18H16O9
Exact Mass
Calculate m/z
376.079435
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)
XGJUUNRZFPFMOK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O9/c1-24-15-8(20)5-4-7(19)11(15)10-6-9(21)12-13(22)17(25-2)14(23)18(26-3)16(12)27-10/h4-6,19-20,22-23H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C(O)=CC=C(O)C=3OC)OC=1C(OC)=C(O)C(OC)=C2O

Other Databases

CHEBI ID
180419
METABOLOMICS ID
FL3FG8NS0008
PubChem CID
44258628

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 308.17
Topological Polar Surface Area 138.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.21
Molar Refractivity 94.34

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Updated at
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