Structure Database (LMSD)

Systematic Name
5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
Synonyms
LM ID
LMPK12111497
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)
VGHXMADJWRYELS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O9/c1-24-11-5-7(4-9(20)13(11)21)10-6-8(19)12-14(22)17(25-2)15(23)18(26-3)16(12)27-10/h4-6,20-23H,1-3H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
180418
METABOLOMICS ID
FL3FGGNS0011
PubChem CID
44258655

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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