Structure Database (LMSD)

Systematic Name
5,7,8-Trihydroxy-4'-methoxyflavanone
Synonyms
LM ID
LMPK12140671
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
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)
OVDFVZLTXMMPDE-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-6,13,17,19-20H,7H2,1H3/t13-/m0/s1
SMILES (Click to copy)
C1(O)C(O)=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
185412
METABOLOMICS ID
FL2FFANS0005
PubChem CID
15489634

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.75

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Updated at
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