Structure Database (LMSD)

Systematic Name
3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
Synonyms
LM ID
LMPK12140068
Formula
C18H12O5
Exact Mass
Calculate m/z
308.068475
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
SXFFQMAXCHJUIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-7,16H,8-9H2
SMILES (Click to copy)
C12OC=CC1=C1OC(C3C=C4OCOC4=CC=3)CC(=O)C1=CC=2

References

Taxonomy Information

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

Other Databases

CHEBI ID
185759
METABOLOMICS ID
FL2F1CNF0001
PubChem CID
42607823

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 259.19
Topological Polar Surface Area 62.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 80.99

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Updated at
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