Structure Database (LMSD)

Systematic Name
5,7,3',5'-Tetrahydroxy-6-methylflavanone
Synonyms
LM ID
LMPK12140201
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)
UJGWWLIHIJYSGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-7-11(19)5-14-15(16(7)21)12(20)6-13(22-14)8-2-9(17)4-10(18)3-8/h2-5,13,17-19,21H,6H2,1H3
SMILES (Click to copy)
C1(O)C=C2OC(C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1C

Other Databases

CHEBI ID
193419
METABOLOMICS ID
FL2FA9NM0015
PubChem CID
5321873

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.60

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Updated at
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