Structure Database (LMSD)

Common Name
Artonin F
Systematic Name
Synonyms
LM ID
LMPK12111518
Formula
C30H30O7
Exact Mass
Calculate m/z
502.199155
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)
GKWNQOINHKVKOT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(O)C(C=3OC=1C1C=CC(C)(C)OC=1C(C/C=C(/C)\C)=C2O)=C45

Other Databases

HMDB ID
HMDB0035187
CHEBI ID
175847
METABOLOMICS ID
FL3FRNND0005
PubChem CID
14680593

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 6
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 455.83
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.55
Molar Refractivity 142.07

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Updated at
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