Structure Database (LMSD)

Common Name
Strobopinin
Systematic Name
Synonyms
LM ID
LMPK12140187
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
INBPQAJYHSJVRY-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC=CC=3)CC(=O)C2=C(O)C=1C

Other Databases

KEGG ID
C09939
CHEBI ID
9292
METABOLOMICS ID
FL2FA9NM0001
PubChem CID
442520

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 243.16
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.11
Molar Refractivity 73.27

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Updated at
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