Structure Database (LMSD)

Common Name
Luteolin 7-sulfate
Systematic Name
Synonyms
LM ID
LMPK12110734
Formula
C15H10O9S
Exact Mass
Calculate m/z
366.004557
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)
NTLSJCCPWSJISD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
SMILES (Click to copy)
C1(OS(O)(=O)=O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0038472
CHEBI ID
184349
METABOLOMICS ID
FL3FACNSS001
PubChem CID
14016780

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 274.78
Topological Polar Surface Area 154.50
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.91
Molar Refractivity 85.11

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Updated at
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