Structure Database (LMSD)

Common Name
Flemistrictin F
Systematic Name
Synonyms
LM ID
LMPK12120011
Formula
Exact Mass
Calculate m/z
324.13616
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DUJBHGCIWKVNSS-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-20(2)18(23)12-15-17(22)11-9-14(19(15)24-20)16(21)10-8-13-6-4-3-5-7-13/h3-11,18,22-23H,12H2,1-2H3/b10-8+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=CC=CC=2)C2OC(C)(C)C(O)CC1=2

Other Databases

CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 309.72
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.94
Molar Refractivity 93.36

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Created at
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Updated at
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