Structure Database (LMSD)

Systematic Name
7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Synonyms
LM ID
LMPK12111409
Formula
C25H26O8
Exact Mass
Calculate m/z
454.16277
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)
LBCBUTFRVRCZPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O8/c1-25(2)9-8-14-20(33-25)19-15(26)12-16(32-23(19)24(31-7)21(14)29-5)13-10-17(27-3)22(30-6)18(11-13)28-4/h8-12H,1-7H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C2OC(C)(C)C=CC1=2

Other Databases

METABOLOMICS ID
FL3FFGNP0001
PubChem CID
44258621

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 405.48
Topological Polar Surface Area 87.66
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 5.87
Molar Refractivity 125.04

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Updated at
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