Structure Database (LMSD)

Common Name
5-Methoxyafrormosin 7-O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12050378
Formula
C24H26O11
Exact Mass
Calculate m/z
490.147515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FRFBGBYUVWFVRG-OREFEKLXSA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)13-10-33-14-8-15(22(31-2)23(32-3)17(14)18(13)26)34-24-21(29)20(28)19(27)16(9-25)35-24/h4-8,10,16,19-21,24-25,27-29H,9H2,1-3H3/t16-,19-,20+,21-,24-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=C(OC)C2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAEAGS0007
PubChem CID
44257347

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 417.19
Topological Polar Surface Area 159.35
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 3.28
Molar Refractivity 125.13

Admin

Created at
-
Updated at
18th Oct 2021