Structure Database (LMSD)

Common Name
8-Hydroxyquercetagetin
Systematic Name
Synonyms
LM ID
LMPK12113327
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)
IVVIBMKOLWEERH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H
SMILES (Click to copy)
C1(O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1O

Other Databases

HMDB ID
HMDB0030159
CHEBI ID
184486
METABOLOMICS ID
FL5FGCNS0001
PubChem CID
44260065

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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