Structure Database (LMSD)

Common Name
Homoeriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140449
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
FTODBIPDTXRIGS-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1

Other Databases

Wikipedia
Homoeriodictyol
KEGG ID
C09756
CHEBI ID
74960
METABOLOMICS ID
FL2FADNS0001
PubChem CID
73635

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.75

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Updated at
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