LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Asperunguissidone A

Systematic Name

Synonyms

LM ID

LMPK13080013

Formula

C₁₈H₁₆O₆

Exact Mass

Calculate m/z

328.09469

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

HHSFLZLIWITCLV-JTQLQIEISA-N

InChi (Click to copy)

InChI=1S/C18H16O6/c1-8(10(3)19)13-7-14(21)9(2)16-17(13)23-15-6-11(20)4-5-12(15)18(22)24-16/h4-7,10,19-21H,1H2,2-3H3/t10-/m0/s1

SMILES (Click to copy)

C1=CC(O)=CC2OC3=C(C([C@@H](O)C)=C)C=C(O)C(C)=C3OC(=O)C1=2

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus unguis (#40381)

Eurotiomycetes (#147545)

Antibacterial and Antifungal Polyketides from the Fungus Aspergillus unguis PSU-MF16.,
J Nat Prod, 2021

Pubmed ID: 33861594

Other Databases

PubChem CID

171119336

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 3

Aromatic Rings 2

Rotatable Bonds 2

Van der Waals Molecular Volume 292.70

Topological Polar Surface Area 100.36

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.41

Molar Refractivity 87.21

Admin

Created at

5th Feb 2022

Updated at