Structure Database (LMSD)

Common Name
Asperunguissidone A
Systematic Name
Synonyms
LM ID
LMPK13080013
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Depsides and depsidones [PK1308]

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

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

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
5th Feb 2022