Structure Database (LMSD)

Common Name
8-C-Methylvelloquercetin 3,5,3'-trimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112740
Formula
C24H24O7
Exact Mass
Calculate m/z
424.152205
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)
YECKJMQNTOROAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O7/c1-11(2)16-10-14-20(30-16)12(3)21-18(23(14)28-5)19(26)24(29-6)22(31-21)13-7-8-15(25)17(9-13)27-4/h7-9,16,25H,1,10H2,2-6H3
SMILES (Click to copy)
C12OC(C(=C)C)CC1=C(OC)C1C(=O)C(OC)=C(C3C=C(OC)C(O)=CC=3)OC=1C=2C

Other Databases

CHEBI ID
187268
METABOLOMICS ID
FL5FDDNF0003
PubChem CID
44259686

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 379.39
Topological Polar Surface Area 89.43
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 5.57
Molar Refractivity 117.53

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Updated at
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