Structure Database (LMSD)

Systematic Name
(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone
Synonyms
LM ID
LMPK12140130
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
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)
PWHHFNGLEOMEAA-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-8,15,19H,9H2,1-3H3/t15-/m1/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@@H](C3C=CC=C(OC)C=3OC)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FA8NS0010
PubChem CID
9996718

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 295.34
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.12
Molar Refractivity 86.52

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Updated at
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