Structure Database (LMSD)

Common Name
Artonin E
Systematic Name
Synonyms
LM ID
LMPK12110925
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
Status
Active
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)
HDHRTQZSBFUBMJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C(O)=CC(O)=C(O)C=3)=C(C/C=C(\C)/C)C(=O)C=1C(O)=C2

Other Databases

HMDB ID
HMDB0035186
METABOLOMICS ID
FL3FALNP0014
PubChem CID
5481962

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 394.05
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.16
Molar Refractivity 122.08

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Updated at
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