Structure Database (LMSD)

OH OH HO O O
Systematic Name
(2S)-5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
Synonyms
LM ID
LMPK12140296
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)
GKOWEQNADRJYIA-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-4-20(2,3)18-14(23)10-16-17(19(18)24)13(22)9-15(25-16)11-5-7-12(21)8-6-11/h4-8,10,15,21,23-24H,1,9H2,2-3H3/t15-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C(C)(C)C=C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAANI0022
PubChem CID
10759582

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.97
Molar Refractivity 93.42

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Updated at
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