LIPID MAPS

Structure Database (LMSD)

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Common Name

Aspergillusether B

Systematic Name

Synonyms

LM ID

LMPK13090055

Formula

C₂₀H₂₂O₆

Exact Mass

Calculate m/z

358.14164

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)

Diphenyl ethers and indanones from the soil-derived fungus Aspergillus unguis PSU-RSPG204,
Tetrahedron, 2017

DOI: 10.1016/j.tet.2017.08.039

String Representations

InChiKey (Click to copy)

MRFZDDXTMDVMTM-UXBLZVDNSA-N

InChi (Click to copy)

InChI=1S/C20H22O6/c1-6-10(2)14-9-15(22)12(4)18(23)19(14)26-16-8-13(21)7-11(3)17(16)20(24)25-5/h6-9,21-23H,1-5H3/b10-6+

SMILES (Click to copy)

C1(C)=CC(O)=CC(OC2=C(/C(/C)=C/C)C=C(O)C(C)=C2O)=C1C(OC)=O

Other Databases

PubChem CID

139590214

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 2

Aromatic Rings 2

Rotatable Bonds 5

Van der Waals Molecular Volume 339.66

Topological Polar Surface Area 96.22

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 4.42

Molar Refractivity 98.09

Admin

Created at

5th Feb 2022

Updated at