Structure Database (LMSD)

Systematic Name
5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
Synonyms
LM ID
LMPK12140638
Formula
C19H20O8
Exact Mass
Calculate m/z
376.11582
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)
ABIJRPKPVBZTCW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O8/c1-23-14-6-9(5-11(21)18(14)25-3)12-7-10(20)16-13(27-12)8-15(24-2)19(26-4)17(16)22/h5-6,8,12,21-22H,7H2,1-4H3
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=C(OC)C(OC)=C(O)C=3)CC(=O)C2=C(O)C=1OC

Other Databases

CHEBI ID
193386
METABOLOMICS ID
FL2FEGNS0004
PubChem CID
10833336

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 330.22
Topological Polar Surface Area 105.75
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 2.84
Molar Refractivity 94.74

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Updated at
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