Structure Database (LMSD)

Common Name
Desmosflavanone II
Systematic Name
7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone
Synonyms
LM ID
LMPK12140203
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
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)
LSODPLCBFFZIHL-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-10-16(21)12(9-19)18-15(17(10)22-2)13(20)8-14(23-18)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
SMILES (Click to copy)
C1(O)C(C=O)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1C

Other Databases

CHEBI ID
186990
METABOLOMICS ID
FL2FA9NM0017
PubChem CID
503268

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 283.91
Topological Polar Surface Area 74.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.23
Molar Refractivity 83.54

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Updated at
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