Structure Database (LMSD)

Common Name
Strobopinin 7-galactoside
Systematic Name
Synonyms
LM ID
LMPK12140132
Formula
C22H24O9
Exact Mass
Calculate m/z
432.142035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LJDSWPMCIQJDAR-WYPFCQQNSA-N
InChi (Click to copy)
InChI=1S/C22H24O9/c1-10-13(30-22-21(28)20(27)19(26)16(9-23)31-22)8-15-17(18(10)25)12(24)7-14(29-15)11-5-3-2-4-6-11/h2-6,8,14,16,19-23,25-28H,7,9H2,1H3/t14?,16-,19+,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(C)C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FA9GM0001
PubChem CID
14727693

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 378.55
Topological Polar Surface Area 150.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 2.30
Molar Refractivity 109.05

Admin

Created at
-
Updated at
20th Nov 2023