Structure Database (LMSD)

Common Name
Plathymenin
Systematic Name
Synonyms
LM ID
LMPK12140087
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
ZIKILYZOICUSQT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-9-2-1-7(3-11(9)18)14-5-10(17)8-4-12(19)13(20)6-15(8)21-14/h1-4,6,14,16,18-20H,5H2
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=C1O

Other Databases

METABOLOMICS ID
FL2F2CNS0001
PubChem CID
12314367

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 243.44
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.22
Molar Refractivity 71.86

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Updated at
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