Structure Database (LMSD)

Common Name
Rhamnazin 3-O-sulfate
Systematic Name
Synonyms
LM ID
LMPK12112642
Formula
C17H14O10S
Exact Mass
Calculate m/z
410.030772
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)
PQRWDTSPYVEMMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O10S/c1-24-9-6-11(19)14-13(7-9)26-16(17(15(14)20)27-28(21,22)23)8-3-4-10(18)12(5-8)25-2/h3-7,18-19H,1-2H3,(H,21,22,23)
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OS(O)(=O)=O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FCDNSS001
PubChem CID
15290613

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 318.17
Topological Polar Surface Area 152.73
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 4.22
Molar Refractivity 96.55

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Updated at
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