Structure Database (LMSD)

OH OH HO HO HO O O OH O O
Common Name
Aureusidin 6-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12130034
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

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
FL1AACGS0003
PubChem CID
42607766

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

Admin

Created at
-
Updated at
13th Oct 2021