Structure Database (LMSD)

Common Name
Dihydroisomilletenone methyl ether
Systematic Name
Synonyms
LM ID
LMPK12120587
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
OPHQFSDAYUGKQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-13-5-6-14(17(9-13)22-2)18(23-3)10-15(20)12-4-7-16-19(8-12)25-11-24-16/h4-9,18H,10-11H2,1-3H3
SMILES (Click to copy)
C12OCOC=1C=C(C(=O)CC(OC)C1C=CC(OC)=CC=1OC)C=C2

Other Databases

METABOLOMICS ID
FL1DHYNS0002
PubChem CID
42607728

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 67.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.39
Molar Refractivity 90.81

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Updated at
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