Structure Database (LMSD)

Common Name
6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112035
Formula
C27H28O10
Exact Mass
Calculate m/z
512.16825
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
HFACBAJBHOSYOZ-GULSFEPBSA-N
InChi (Click to copy)
InChI=1S/C27H28O10/c1-12-19(29)21(31)22(32)26(34-12)36-25-20(30)18-16(28)11-17-15(9-10-27(2,3)37-17)24(18)35-23(25)13-5-7-14(33-4)8-6-13/h5-12,19,21-22,26,28-29,31-32H,1-4H3/t12-,19-,21+,22+,26-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL5FABGP0001
PubChem CID
124519048

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 445.30
Topological Polar Surface Area 152.19
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 5.18
Molar Refractivity 136.04

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Created at
-
Updated at
21st Dec 2021