Structure Database (LMSD)

Common Name
Corylin
Systematic Name
Synonyms
LM ID
LMPK12050033
Formula
C20H16O4
Exact Mass
Calculate m/z
320.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PWAACAMQKVIVPZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC4OC(C)(C)C=CC=4C=3)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FLIA1ANP0001
PubChem CID
5316097

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 283.82
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.54
Molar Refractivity 93.95

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Updated at
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