Structure Database (LMSD)

Common Name
Agecorynin A
Systematic Name
Synonyms
LM ID
LMPK12140635
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
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)
HTRVCOZULPJGLN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C4OCOC=4C=3)CC(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL2FEGNS0001
PubChem CID
14162687

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 335.16
Topological Polar Surface Area 87.89
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 3.16
Molar Refractivity 97.53

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Updated at
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