LIPID MAPS

Structure Database (LMSD)

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Common Name

Aspergisidone

Systematic Name

Synonyms

LM ID

LMPK13080009

Formula

C₂₄H₂₄O₇

Exact Mass

Calculate m/z

424.152205

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus unguis (#40381)

Eurotiomycetes (#147545)

Depsides and depsidones from the soil-derived fungus Aspergillus unguis PSU-RSPG204,
Tetrahedron, 2018

DOI: 10.1016/j.tet.2018.07.059

String Representations

InChiKey (Click to copy)

AQEVIPMAHKXMTE-AMMQDNIMSA-N

InChi (Click to copy)

InChI=1S/C24H24O7/c1-7-10(3)14-9-15(25)12(5)20-17(14)24(29)31-21-13(6)19(26)18(23(27)28)16(11(4)8-2)22(21)30-20/h7-9,25-26H,1-6H3,(H,27,28)/b10-7+,11-8+

SMILES (Click to copy)

C1(/C(/C)=C/C)=CC(O)=C(C)C2OC3=C(/C(/C)=C/C)C(C(O)=O)=C(O)C(C)=C3OC(=O)C1=2

Other Databases

PubChem CID

139590291

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 3

Aromatic Rings 2

Rotatable Bonds 3

Van der Waals Molecular Volume 400.01

Topological Polar Surface Area 117.43

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 5.58

Molar Refractivity 116.33

Admin

Created at

4th Feb 2022

Updated at