Structure Database (LMSD)

Systematic Name
7,8,4'-Trihydroxyflavanone
Synonyms
LM ID
LMPK12140091
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
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)
IXQZKAVXZDCYDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-6,13,16-17,19H,7H2
SMILES (Click to copy)
C1(O)=C(O)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=C1

Other Databases

CHEBI ID
184495
METABOLOMICS ID
FL2F3ANS0001
PubChem CID
42607833

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 234.65
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.51
Molar Refractivity 70.19

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