Structure Database (LMSD)

Common Name
Mosloflavanone
Systematic Name
(S)-2,5-Dihydroxy-6,7-dimethoxyflavanone
Synonyms
LM ID
LMPK12140692
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]
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)
GDGDGXJBOLVFBL-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-13-8-12-14(15(19)16(13)22-2)11(18)9-17(20,23-12)10-6-4-3-5-7-10/h3-8,19-20H,9H2,1-2H3/t17-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@](O)(C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC

Other Databases

METABOLOMICS ID
FL2FHYNS0001
PubChem CID
42608128

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.22
Molar Refractivity 81.13

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Updated at
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