Structure Database (LMSD)

Common Name
Ficinin
Systematic Name
Synonyms
  • 4-Methoxyneodulin
LM ID
LMPK12070039
Formula
C19H14O6
Exact Mass
Calculate m/z
338.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HWVHWRJPBZQEMD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3
SMILES (Click to copy)
C12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C3COC=1C=2OC

Other Databases

METABOLOMICS ID
FLID1CNF0003
PubChem CID
44257446

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 275.56
Topological Polar Surface Area 65.73
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.68
Molar Refractivity 87.32

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Updated at
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