Structure Database (LMSD)

O OH OH O O
Systematic Name
5,4,-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone
Synonyms
LM ID
LMPK12140267
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
MNHSEANWZYLOHY-SBNLOKMTSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-7,9-10,14,21,23H,8H2,1-3H3/t10?,14-/m0/s1
SMILES (Click to copy)
C12OC(C)C(C)(C)C=1C(O)=C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC1=C2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL2FAANF0005
PubChem CID
10664858

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 308.79
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.15
Molar Refractivity 92.16

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Updated at
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