Structure Database (LMSD)

Common Name
Artobilichromene
Systematic Name
Synonyms
LM ID
LMPK12110922
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)
PLAGFMDVHDUWRB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(28)15(9-17(27)23(14)29)18-10-16(26)21-20(31-18)11-19-13(24(21)30)7-8-25(3,4)32-19/h5,7-11,27-30H,6H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C=C(C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3O)OC=1C=2

Other Databases

METABOLOMICS ID
FL3FALNP0011
PubChem CID
14259062

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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