Structure Database (LMSD)

Common Name
Corylidin
Systematic Name
Synonyms
LM ID
LMPK12090015
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Coumestan flavonoids [PK1209]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QYJUEWQOEZPDIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C(O)C(O)C1=CC1C3OC4=CC(O)=CC=C4C=3C(=O)OC=1C=2

Other Databases

CHEBI ID
185720
METABOLOMICS ID
FLIE1ANP0004
PubChem CID
5316096

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 300.47
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.31
Molar Refractivity 96.46

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Updated at
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