Structure Database (LMSD)

Systematic Name
5,6,7,8,3',4',5'-Heptamethoxyflavanone
Synonyms
LM ID
LMPK12140688
Formula
C22H26O9
Exact Mass
Calculate m/z
434.157685
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
CILDMLWCNDIKLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H26O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-9,13H,10H2,1-7H3
SMILES (Click to copy)
C1(OC)C(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)CC(=O)C=2C=1OC

Other Databases

CHEBI ID
179354
METABOLOMICS ID
FL2FGGNS0002
PubChem CID
14162684

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 390.91
Topological Polar Surface Area 92.98
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
logP 3.45
Molar Refractivity 111.06

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Updated at
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