Structure Database (LMSD)

Common Name
Zapotin
Systematic Name
Synonyms
LM ID
LMPK12110091
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PBQMALAAFQMDSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
SMILES (Click to copy)
C1=CC2OC(C3C(OC)=CC=CC=3OC)=CC(=O)C=2C(OC)=C1OC

Other Databases

Wikipedia
Zapotin
HMDB ID
HMDB0029461
CHEBI ID
175322
METABOLOMICS ID
FL3F98NS0012
PubChem CID
629965

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.39
Molar Refractivity 94.24

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Updated at
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