LIPID MAPS

Structure Database (LMSD)

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Common Name

Aspergillusether C

Systematic Name

Synonyms

LM ID

LMPK13090054

Formula

C₂₀H₂₁O₆Cl

Exact Mass

Calculate m/z

392.102668

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

QUPZSFFZSBHXJU-RMKNXTFCSA-N

InChi (Click to copy)

InChI=1S/C20H21ClO6/c1-6-9(2)12-7-13(22)10(3)18(24)19(12)27-15-8-14(23)17(21)11(4)16(15)20(25)26-5/h6-8,22-24H,1-5H3/b9-6+

SMILES (Click to copy)

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

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

Other Databases

PubChem CID

139590215

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 2

Aromatic Rings 2

Rotatable Bonds 5

Van der Waals Molecular Volume 354.87

Topological Polar Surface Area 96.22

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 5.08

Molar Refractivity 103.10

Admin

Created at

5th Feb 2022

Updated at