Structure Database (LMSD)

Systematic Name
3,5,7,2',5'-Pentahydroxyflavone
Synonyms
LM ID
LMPK12111625
Formula
C15H10O7
Exact Mass
Calculate m/z
302.042655
Status
Curated
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)
FYNCQVXZKZHSTM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-6-1-2-9(18)8(3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
190122
METABOLOMICS ID
FL5FA8NS0004
PubChem CID
44258716

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.69
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.89
Molar Refractivity 76.35

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