Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 6,7-disulfate
Systematic Name
Synonyms
LM ID
LMPK12111253
Formula
C15H10O13S2
Exact Mass
Calculate m/z
461.956289
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)
QHJGVHZBVOGZLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O13S2/c16-7-2-1-6(3-8(7)17)10-4-9(18)13-11(26-10)5-12(27-29(20,21)22)15(14(13)19)28-30(23,24)25/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25)
SMILES (Click to copy)
C1(OS(=O)(O)=O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1OS(=O)(O)=O

Other Databases

METABOLOMICS ID
FL3FECNSS003
PubChem CID
13845917

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 328.45
Topological Polar Surface Area 218.10
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 13
logP 4.34
Molar Refractivity 97.19

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Updated at
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