Structure Database (LMSD)

Systematic Name
3,5,8-Trihydroxy-7,2'3'-trimethoxyflavone
Synonyms
LM ID
LMPK12113071
Formula
Exact Mass
Calculate m/z
360.08452
Status
Curated


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

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

Other Databases

METABOLOMICS ID
PubChem CID

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

Admin

Created at
-
Updated at
-