Structure Database (LMSD)

Common Name
Neofolin
Systematic Name
Synonyms
LM ID
LMPK12160016
Formula
C20H14O7
Exact Mass
Calculate m/z
366.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SUNDAONUHLDQBY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H14O7/c1-22-14-8-16-15(25-9-26-16)7-12(14)13-6-11-5-10-3-4-24-17(10)19(23-2)18(11)27-20(13)21/h3-8H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC1=CC1C=C(C3=CC4OCOC=4C=C3OC)C(=O)OC=1C=2OC

Other Databases

CHEBI ID
185792
METABOLOMICS ID
FLIH3LNF0001
PubChem CID
44260104

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 286.93
Topological Polar Surface Area 84.41
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.85
Molar Refractivity 97.03

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Updated at
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