Structure Database (LMSD)

Common Name
Isosakuranetin 7-O-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12140339
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)
LBGSZVCVDNTPPJ-WLFXGSQNSA-N
InChi (Click to copy)
InChI=1S/C22H24O9/c1-10-19(25)20(26)21(27)22(29-10)30-13-7-14(23)18-15(24)9-16(31-17(18)8-13)11-3-5-12(28-2)6-4-11/h3-8,10,16,19-23,25-27H,9H2,1-2H3/t10-,16-,19-,20+,21+,22-/m0/s1
SMILES (Click to copy)
C1C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FABGS0007
PubChem CID
102434921

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 139.05
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 2.75
Molar Refractivity 108.96

Admin

Created at
-
Updated at
13th Apr 2022