Structure Database (LMSD)

Systematic Name
5,8,2'-Trihydroxy-7-methoxyflavanone
Synonyms
LM ID
LMPK12140647
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)
NJUWLUPGDQOJCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-13-7-11(19)14-10(18)6-12(22-16(14)15(13)20)8-4-2-3-5-9(8)17/h2-5,7,12,17,19-20H,6H2,1H3
SMILES (Click to copy)
C1C(OC)=C(O)C2OC(C3C(O)=CC=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FF8NS0005
PubChem CID
14034288

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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