Structure Database (LMSD)

Common Name
8-Methoxyeriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140674
Formula
C16H14O7
Exact Mass
Calculate m/z
318.073955
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)
DQVNDBVGXKWWNS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O7/c1-22-15-12(21)5-10(19)14-11(20)6-13(23-16(14)15)7-2-3-8(17)9(18)4-7/h2-5,13,17-19,21H,6H2,1H3
SMILES (Click to copy)
C1C(O)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
180602
METABOLOMICS ID
FL2FFCNS0003
PubChem CID
42608120

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 269.53
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.22
Molar Refractivity 78.41

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Updated at
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