Structure Database (LMSD)

Systematic Name
5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140625
Formula
C19H14O7
Exact Mass
Calculate m/z
354.073955
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)
NDRSNJAZIATHAK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O7/c1-22-19-16(21)15-11(20)7-13(26-17(15)10-4-5-23-18(10)19)9-2-3-12-14(6-9)25-8-24-12/h2-6,13,21H,7-8H2,1H3
SMILES (Click to copy)
C12OC=CC=1C1OC(C3C=C4OCOC4=CC=3)CC(=O)C=1C(O)=C2OC

Other Databases

CHEBI ID
185655
METABOLOMICS ID
FL2FECNF0001
PubChem CID
42608102

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 283.17
Topological Polar Surface Area 93.57
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.58
Molar Refractivity 89.31

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Updated at
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