Structure Database (LMSD)

Common Name
Luteolin 4'-methyl ether 3'-sulfate
Systematic Name
Synonyms
LM ID
LMPK12110826
Formula
C16H12O9S
Exact Mass
Calculate m/z
380.020207
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)
TUEWEAXVGDUYJZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-7,17-18H,1H3,(H,20,21,22)
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OS(=O)(O)=O)C(OC)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0133341
METABOLOMICS ID
FL3FAENSS002
PubChem CID
44258235

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 292.08
Topological Polar Surface Area 143.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 4.21
Molar Refractivity 89.99

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Updated at
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