Structure Database (LMSD)

Systematic Name
2,5-Dihydroxy-7-methoxy-6-methylflavanone
Synonyms
LM ID
LMPK12140690
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)
WJCOVMMXCJSTCP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-10-13(21-2)8-14-15(16(10)19)12(18)9-17(20,22-14)11-6-4-3-5-7-11/h3-8,19-20H,9H2,1-2H3
SMILES (Click to copy)
C1(OC)C=C2OC(O)(C3C=CC=CC=3)CC(=O)C2=C(O)C=1C

Other Databases

METABOLOMICS ID
FL2FHYNM0001
PubChem CID
12116707

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 2.52
Molar Refractivity 79.31

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