Structure Database (LMSD)

Systematic Name
5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
Synonyms
LM ID
LMPK12140536
Formula
C18H18O7
Exact Mass
Calculate m/z
346.105255
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)
JVEWHXHGRUJELM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O7/c1-22-9-4-12(20)18-13(21)8-14(25-17(18)5-9)10-6-15(23-2)16(24-3)7-11(10)19/h4-7,14,19-20H,8H2,1-3H3
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=C(OC)C(OC)=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
186642
METABOLOMICS ID
FL2FALNS0007
PubChem CID
42608056

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 304.13
Topological Polar Surface Area 96.52
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 2.83
Molar Refractivity 88.19

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Updated at
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