Structure Database (LMSD)

Common Name
Luteolin 3'-methyl ether 7-sulfate
Systematic Name
Synonyms
LM ID
LMPK12110800
Formula
C16H12O9S
Exact Mass
Calculate m/z
380.020207
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)
YIYDRDIIVCKVSU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O9S/c1-23-14-4-8(2-3-10(14)17)13-7-12(19)16-11(18)5-9(6-15(16)24-13)25-26(20,21)22/h2-7,17-18H,1H3,(H,20,21,22)
SMILES (Click to copy)
C1(OS(=O)(O)=O)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
188103
METABOLOMICS ID
FL3FADNSS001
PubChem CID
44258211

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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