Structure Database (LMSD)

Common Name
Sojagol
Systematic Name
Synonyms
  • Soyagol
LM ID
LMPK12090012
Formula
C20H16O5
Exact Mass
Calculate m/z
336.099775
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)
GSAVLDZAGYKJSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(=O)C3C4C=CC5OC(C)(C)CCC=5C=4OC=3C=2C=C1

Other Databases

KEGG ID
C10529
HMDB ID
HMDB0034027
CHEBI ID
9183
METABOLOMICS ID
FLIE1ANP0001
PubChem CID
5281809

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 4
Rotatable Bonds 0
Van der Waals Molecular Volume 271.99
Topological Polar Surface Area 74.88
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.69
Molar Refractivity 95.07

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Updated at
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