Structure Database (LMSD)

Common Name
Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether
Systematic Name
Synonyms
LM ID
LMPK12140584
Formula
C22H24O6
Exact Mass
Calculate m/z
384.15729
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)
QWIIYBSNKMRSLQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O6/c1-13(2)7-8-27-18-6-5-14(9-20(18)26-4)19-12-17(24)22-16(23)10-15(25-3)11-21(22)28-19/h5-7,9-11,19,23H,8,12H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC/C=C(/C)\C)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
185921
METABOLOMICS ID
FL2FCDNI0002
PubChem CID
42608081

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 361.90
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.75
Molar Refractivity 105.39

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Updated at
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