Structure Database (LMSD)

Systematic Name
3,7,8,4'-Tetrahydroxyflavone
Synonyms
LM ID
LMPK12111601
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
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)
YXNPLJZTPMOXKR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,16-17,19-20H
SMILES (Click to copy)
C1(O)=C(O)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FL5F3ANS0001
PubChem CID
22239065

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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