Structure Database (LMSD)

Common Name
Munsericin
Systematic Name
Synonyms
LM ID
LMPK12120429
Formula
Exact Mass
Calculate m/z
322.12051
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)
CKEDEFCTCYZPGM-QPJJXVBHSA-N
InChi (Click to copy)
InChI=1S/C20H18O4/c1-20(2)10-9-15-11-14(5-8-19(15)24-20)17(22)7-4-13-3-6-16(21)12-18(13)23/h3-12,21,23H,1-2H3/b7-4+
SMILES (Click to copy)
C1=CC(O)=CC(O)=C1/C=C/C(=O)C1C=C2C=CC(C)(C)OC2=CC=1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 307.08
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.46
Molar Refractivity 93.83

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Updated at
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