Structure Database (LMSD)

Systematic Name
7,3',4',5'-Tetrahydroxyflavone
Synonyms
LM ID
LMPK12110051
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
CCCIGFPBADVTFE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0140457
METABOLOMICS ID
FL3F1GNS0001
PubChem CID
5393164

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.90
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 74.69

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