Structure Database (LMSD)

Common Name
6-Methoxyeriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140630
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)
UZQWHZRLSLEWHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-4,6,12,17-18,20-21H,5H2,1H3
SMILES (Click to copy)
C1(OC)C(O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
196314
METABOLOMICS ID
FL2FECNS0005
PubChem CID
14034285

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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