Structure Database (LMSD)

Common Name
8-C-Methylquercetagetin 3,6,3'-trimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112979
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
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)
LKMJVLAOXQAMCD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-8-13(21)18(25-3)14(22)12-15(23)19(26-4)17(27-16(8)12)9-5-6-10(20)11(7-9)24-2/h5-7,20-22H,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FECNM0002
PubChem CID
44259866

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 118.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.42

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Updated at
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