Structure Database (LMSD)

Common Name
Luteolin 7,3'-disulfate
Systematic Name
Synonyms
LM ID
LMPK12110737
Formula
C15H10O12S2
Exact Mass
Calculate m/z
445.961374
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)
WFETZDMFLGONLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O12S2/c16-9-2-1-7(3-13(9)27-29(22,23)24)12-6-11(18)15-10(17)4-8(5-14(15)25-12)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24)
SMILES (Click to copy)
C1(OS(=O)(O)=O)=CC2OC(C3C=C(OS(=O)(O)=O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACNSS004
PubChem CID
44258153

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 319.66
Topological Polar Surface Area 197.87
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 4.64
Molar Refractivity 95.52

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Updated at
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