Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Synonyms
LM ID
LMPK12111406
Formula
C25H28O13
Exact Mass
Calculate m/z
536.152995
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)
FUJFYAOYGILVAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O13/c1-33-12-5-9(6-13(34-2)22(12)35-3)11-7-10(27)15-18(29)16(19(30)25(36-4)24(15)37-11)23-21(32)20(31)17(28)14(8-26)38-23/h5-7,14,17,20-21,23,26,28-32H,8H2,1-4H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1C1OC(CO)C(O)C(O)C1O

Other Databases

METABOLOMICS ID
FL3FFGCS0001
PubChem CID
44258618

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 452.07
Topological Polar Surface Area 199.81
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 2.75
Molar Refractivity 132.82

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Updated at
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