Structure Database (LMSD)

Common Name
Aureusidin 6-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12130034
Status
Active
Exact Mass
Calculate m/z
432.10565
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SMAKMLPEIWBYJR-ZOOKWPDTSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-8-17(25)19(27)20(28)21(29-8)30-10-6-13(24)16-14(7-10)31-15(18(16)26)5-9-2-3-11(22)12(23)4-9/h2-8,17,19-25,27-28H,1H3/t8-,17-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C=C2O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 367.40
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.06
Molar Refractivity 106.36

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Created at
-
Updated at
13th Oct 2021