Structure Database (LMSD)

Systematic Name
(2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone
Synonyms
LM ID
LMPK12140569
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
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)
LNRAFJFUMJDPEP-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-6,8,14,18,20H,7H2,1-2H3/t14-/m1/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C

Other Databases

METABOLOMICS ID
FL2FCANM0002
PubChem CID
42608072

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 79.82

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Updated at
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