Structure Database (LMSD)

Common Name
Erosnin
Systematic Name
Synonyms
  • Erosnine
LM ID
LMPK12090021
Formula
C18H8O6
Exact Mass
Calculate m/z
320.03209
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)
YQXNKHVPEJJBTJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2
SMILES (Click to copy)
C12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=1C=2

Other Databases

HMDB ID
HMDB0029465
CHEBI ID
169158
METABOLOMICS ID
FLIE1CNF0001
PubChem CID
5317189

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 6
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 242.08
Topological Polar Surface Area 75.41
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.56
Molar Refractivity 83.89

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Updated at
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