Structure Database (LMSD)

Systematic Name
5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
Synonyms
LM ID
LMPK12140676
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)
HFSWKRNFAVJHID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-7,12,20,22H,8H2,1-4H3
SMILES (Click to copy)
C1(OC)C(OC)=C(OC)C2OC(C3C(O)=CC=CC=3OC)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FG8NS0001
PubChem CID
15838217

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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