Structure Database (LMSD)

Systematic Name
5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
Synonyms
LM ID
LMPK12140608
Formula
C19H16O5
Exact Mass
Calculate m/z
324.099775
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)
ZSJQUFKCLXPUKH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O5/c1-21-18-15-13(20)10-14(11-6-4-3-5-7-11)24-16(15)12-8-9-23-17(12)19(18)22-2/h3-9,14H,10H2,1-2H3
SMILES (Click to copy)
C12OC=CC1=C1OC(C3C=CC=CC=3)CC(=O)C1=C(OC)C=2OC

Other Databases

CHEBI ID
186891
METABOLOMICS ID
FL2FE9NF0001
PubChem CID
42608094

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 288.85
Topological Polar Surface Area 58.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.77
Molar Refractivity 87.97

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Updated at
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