Structure Database (LMSD)

Systematic Name
3,5,6,7,2',3',4'-Heptahydroxyflavone
Synonyms
LM ID
LMPK12113049
Formula
C15H10O9
Exact Mass
Calculate m/z
334.032485
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)
FEUQGYRGRIAWGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9/c16-5-2-1-4(9(18)10(5)19)15-14(23)13(22)8-7(24-15)3-6(17)11(20)12(8)21/h1-3,16-21,23H
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1O

Other Databases

HMDB ID
HMDB0129429
METABOLOMICS ID
FL5FELNS0002
PubChem CID
14376433

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 256.27
Topological Polar Surface Area 171.82
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
logP 2.30
Molar Refractivity 79.68

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Updated at
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