Structure Database (LMSD)

Common Name
Artocommunol CA
Systematic Name
Synonyms
LM ID
LMPK12111534
Formula
C26H24O6
Exact Mass
Calculate m/z
432.15729
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
MWXGNEFXTSBFQH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H24O6/c1-13(2)10-20-22-23(28)21-17(27)12-19-16(8-9-26(3,4)32-19)24(21)31-25(22)15-7-6-14(29-5)11-18(15)30-20/h6-12,20,27H,1-5H3
SMILES (Click to copy)
C12=C(O)C=C3OC(C)(C)C=CC3=C1OC1C3=CC=C(OC)C=C3OC(/C=C(\C)/C)C=1C2=O

Other Databases

METABOLOMICS ID
FL3FRNNP0009
PubChem CID
44258670

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 401.10
Topological Polar Surface Area 80.43
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 5.87
Molar Refractivity 121.59

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Updated at
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