Structure Database (LMSD)

Common Name
Syringetin 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112494
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)
MYIRTOOWWKKWIT-RJLOCQCWSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-8-16(26)19(29)20(30)23(33-8)35-22-18(28)15-11(25)6-10(24)7-12(15)34-21(22)9-4-13(31-2)17(27)14(5-9)32-3/h4-8,16,19-20,23-27,29-30H,1-3H3/t8-,16-,19+,20+,23-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=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
FL5FAIGS0002
PubChem CID
102438666

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

Admin

Created at
-
Updated at
21st Dec 2021