Structure Database (LMSD)

Common Name
Ambonone
Systematic Name
Synonyms
LM ID
LMPK12050456
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
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)
JEBAYRCLJJUGFS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-22-16-9-19(24-3)18(23-2)7-12(16)14-10-26-17-8-15-11(4-5-25-15)6-13(17)20(14)21/h4-9,14H,10H2,1-3H3
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C(C3=CC(OC)=C(OC)C=C3OC)COC=1C=2

Other Databases

METABOLOMICS ID
FLIB1LNF0004
PubChem CID
44257378

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 314.94
Topological Polar Surface Area 67.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.72
Molar Refractivity 95.26

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Updated at
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