Structure Database (LMSD)

Systematic Name
2,5-Dihydroxy-7-methoxy-8-methylflavanone
Synonyms
LM ID
LMPK12140691
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)
GTJNJTZVMPKMRD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-10-14(21-2)8-12(18)15-13(19)9-17(20,22-16(10)15)11-6-4-3-5-7-11/h3-8,18,20H,9H2,1-2H3
SMILES (Click to copy)
C1(OC)C(C)=C2OC(O)(C3C=CC=CC=3)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
193425
METABOLOMICS ID
FL2FHYNM0002
PubChem CID
12116708

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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Updated at
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