Structure Database (LMSD)

Systematic Name
2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Synonyms
LM ID
LMPK12120540
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
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)
IHHOUZQOMVPTMQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-16-8-11(18)7-13(20)17(16)12(19)4-2-10-3-5-14-15(6-10)23-9-22-14/h3,5-8,18,20H,2,4,9H2,1H3
SMILES (Click to copy)
C1(O)C=C(OC)C(C(=O)CCC2C=CC3OCOC=3C=2)=C(O)C=1

Other Databases

METABOLOMICS ID
FL1DBCNS0001
PubChem CID
14261270

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 89.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.65
Molar Refractivity 81.54

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Updated at
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