Structure Database (LMSD)

Common Name
Afrormosin
Systematic Name
Synonyms
  • Afromosin
LM ID
LMPK12050100
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
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)
KJGPBYUQZLUKLL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1OC

Other Databases

KEGG ID
C10199
HMDB ID
HMDB0132849
CHEBI ID
2506
METABOLOMICS ID
FLIA2ANS0001
PubChem CID
5281704

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 255.71
Topological Polar Surface Area 68.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.08
Molar Refractivity 82.80

Admin

Created at
-
Updated at
-