Structure Database (LMSD)

Common Name
8-Hydroxyluteolin 7-sulfate
Systematic Name
Synonyms
LM ID
LMPK12111405
Formula
C15H10O10S
Exact Mass
Calculate m/z
381.999472
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)
HGHHNWCIHWXUJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O10S/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-10(19)5-12(25-26(21,22)23)14(20)15(13)24-11/h1-5,16-17,19-20H,(H,21,22,23)
SMILES (Click to copy)
C1(OS(=O)(O)=O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FFCNSS001
PubChem CID
44258617

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 283.57
Topological Polar Surface Area 174.73
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 3.62
Molar Refractivity 86.77

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Updated at
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