Structure Database (LMSD)

Common Name
Larycitrin 3-(4''-malonylrhamnoside)
Systematic Name
Synonyms
  • Myricetin 3' methyl ether 3-(4''-malonylrhamnoside)
LM ID
LMPK12112481
Formula
C25H24O15
Exact Mass
Calculate m/z
564.111525
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)
CLJHAXXQLXXEAX-DQZSJHOISA-N
InChi (Click to copy)
InChI=1S/C25H24O15/c1-8-22(39-16(31)7-15(29)30)20(34)21(35)25(37-8)40-24-19(33)17-11(27)5-10(26)6-13(17)38-23(24)9-3-12(28)18(32)14(4-9)36-2/h3-6,8,20-22,25-28,32,34-35H,7H2,1-2H3,(H,29,30)/t8-,20-,21+,22-,25-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](OC(=O)CC(O)=O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL5FAHGS0005
PubChem CID
44259486

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 4
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 464.37
Topological Polar Surface Area 244.95
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 2.85
Molar Refractivity 132.91

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Created at
-
Updated at
4th Jan 2022