Structure Database (LMSD)

Systematic Name
3,5,8,3',4',5'-Hexahydroxyflavone
Synonyms
LM ID
LMPK12111618
Formula
C15H10O8
Exact Mass
Calculate m/z
318.03757
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)
JGTKWAPKKUUANC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O8/c16-6-1-2-7(17)15-10(6)12(21)13(22)14(23-15)5-3-8(18)11(20)9(19)4-5/h1-4,16-20,22H
SMILES (Click to copy)
C1=C(O)C2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0037357
CHEBI ID
175073
METABOLOMICS ID
FL5F9GNS0001
PubChem CID
44258711

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 247.48
Topological Polar Surface Area 151.59
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 2.59
Molar Refractivity 78.02

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Updated at
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