Structure Database (LMSD)

Common Name
Artoindonesianin B
Systematic Name
Synonyms
LM ID
LMPK12111537
Formula
C26H28O8
Exact Mass
Calculate m/z
468.17842
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UYYZSBJGWJNBMX-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C26H28O8/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)34-30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-10,12-13,21,27-28,30H,11H2,1-5H3/b8-6+
SMILES (Click to copy)
C12=C(O)C(/C=C/C(C)C)=C(OC)C=C1OC1C3=CC=C(O)C=C3OC(C(OO)(C)C)CC=1C2=O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3FRNNR0003
PubChem CID
10096171

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 433.68
Topological Polar Surface Area 118.82
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 5.92
Molar Refractivity 126.23

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Created at
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Updated at
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