Structure Database (LMSD)

Common Name
Artonin P
Systematic Name
Synonyms
LM ID
LMPK12111511
Formula
C25H20O8
Exact Mass
Calculate m/z
448.11582
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OKKNFQLWCBMTDX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H20O8/c1-10(2)13-7-12-19(29)18-14(26)8-16-11(5-6-23(3,4)32-16)20(18)31-22(12)25-17(28)9-15(27)21(30)24(13,25)33-25/h5-6,8-9,13,26-27H,1,7H2,2-4H3
SMILES (Click to copy)
C12=C(O)C=C3OC(C)(C)C=CC3=C1OC1C34OC3(C(=O)C(O)=CC4=O)C(C(C)=C)CC=1C2=O

Other Databases

CHEBI ID
185640
METABOLOMICS ID
FL3FQUNP0003
PubChem CID
44258658

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 6
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 399.92
Topological Polar Surface Area 126.80
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.96
Molar Refractivity 115.56

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Updated at
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