Structure Database (LMSD)

Systematic Name
(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone
Synonyms
LM ID
LMPK12140408
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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)
BDPWAJXXQWRYNV-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-4-20(2,3)18-14(24)9-16-17(19(18)25)13(23)8-15(26-16)10-5-6-11(21)12(22)7-10/h4-7,9,15,21-22,24-25H,1,8H2,2-3H3/t15-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=C(O)C=1C(C)(C)C=C

Other Databases

CHEBI ID
186765
METABOLOMICS ID
FL2FACNI0014
PubChem CID
10498462

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 327.30
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.68
Molar Refractivity 95.08

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Updated at
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