Structure Database (LMSD)

Common Name
Limocitrin 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12113209
Formula
C23H24O12
Exact Mass
Calculate m/z
492.12678
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CCEZJODARJJBDK-YAUPNJRCSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3/t8-,15-,17+,18+,23-/m0/s1
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFCGS0016
PubChem CID
44260008

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 408.68
Topological Polar Surface Area 190.58
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 3.13
Molar Refractivity 121.67

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Created at
-
Updated at
28th Nov 2021