Structure Database (LMSD)

Systematic Name
5,6,7,3',4',5'-Hexamethoxyflavanone
Synonyms
LM ID
LMPK12140639
Formula
C21H24O8
Exact Mass
Calculate m/z
404.14712
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)
CYJWWPSCJSSHJX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H24O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-8,10,13H,9H2,1-6H3
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=C(OC)C(OC)=C(OC)C=3)CC(=O)C2=C(OC)C=1OC

Other Databases

CHEBI ID
188160
METABOLOMICS ID
FL2FEGNS0005
PubChem CID
42608106

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 364.82
Topological Polar Surface Area 83.75
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 3.44
Molar Refractivity 104.51

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Updated at
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