Structure Database (LMSD)

Common Name
6-Methoxyluteolin 3',4'-disulfate
Systematic Name
Synonyms
LM ID
LMPK12111255
Formula
C16H12O13S2
Exact Mass
Calculate m/z
475.971939
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)
SSIWKQVIFLSBDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O13S2/c1-26-16-9(18)6-13-14(15(16)19)8(17)5-11(27-13)7-2-3-10(28-30(20,21)22)12(4-7)29-31(23,24)25/h2-6,18-19H,1H3,(H,20,21,22)(H,23,24,25)
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OS(=O)(O)=O)C(OS(=O)(=O)O)=CC=3)=CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL3FECNSS005
PubChem CID
13845921

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 345.75
Topological Polar Surface Area 207.10
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 13
logP 4.65
Molar Refractivity 102.08

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Updated at
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