Structure Database (LMSD)

Systematic Name
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Synonyms
LM ID
LMPK12140458
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
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)
KBHNNERSMMYNCG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-8-16(22)9(2)18-15(17(8)23)11(20)7-13(26-18)10-5-12(21)19(25-4)14(6-10)24-3/h5-6,13,21-23H,7H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(O)C(OC)=C(OC)C=3)CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL2FAKNM0001
PubChem CID
42608015

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 321.43
Topological Polar Surface Area 107.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.14
Molar Refractivity 92.77

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Updated at
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