Structure Database (LMSD)

O HO OH O O HO O O HO OH HO OH OH O O OH HO OH O
Common Name
Primflasine
Systematic Name
3,5,7,4'-Tetrahydroxyflavone 3-α-L-arabinopyranosyl- (1->2) -α-L-arabinofuranosyl- (1->4) -glucoside
Synonyms
  • Primflasin
LM ID
LMPK12111743
Formula
C31H36O19
Exact Mass
Calculate m/z
712.185085
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
FPVULWYLWQPXST-GORCLCQASA-N
InChi (Click to copy)
InChI=1S/C31H36O19/c32-7-16-20(39)28(50-29-23(42)19(38)14(37)9-44-29)31(46-16)48-26-17(8-33)47-30(24(43)22(26)41)49-27-21(40)18-13(36)5-12(35)6-15(18)45-25(27)10-1-3-11(34)4-2-10/h1-6,14,16-17,19-20,22-24,26,28-39,41-43H,7-9H2/t14-,16-,17+,19-,20-,22+,23+,24+,26+,28+,29-,30-,31-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)CO5)[C@@H](O)[C@H](CO)O4)[C@@H](CO)O3)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL5FAAGL0020
PubChem CID
101324734

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 6
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 583.89
Topological Polar Surface Area 314.33
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 19
logP 2.16
Molar Refractivity 168.80

Admin

Created at
-
Updated at
9th Jan 2022