Structure Database (LMSD)

Common Name
Artonin N
Systematic Name
Synonyms
LM ID
LMPK12111531
Formula
C30H30O7
Exact Mass
Calculate m/z
502.199155
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)
GJUZSGIVJPSFRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O7/c1-13(2)7-8-15-19(31)12-20-22(24(15)32)26(34)18-11-17(14(3)4)21-23(28(18)36-20)25(33)16-9-10-30(5,6)37-29(16)27(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3
SMILES (Click to copy)
C12CC(C(=C)C)C3C(O)=C4OC(C)(C)C=CC4=C(O)C=3C=1OC1=CC(O)=C(C/C=C(/C)\C)C(O)=C1C2=O

Other Databases

METABOLOMICS ID
FL3FRNNP0006
PubChem CID
44258669

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 476.45
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.54
Molar Refractivity 140.98

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Updated at
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