Structure Database (LMSD)

Common Name
Asperunguissidone B
Systematic Name
Synonyms
LM ID
LMPK13080014
Formula
C18H15O6Cl
Exact Mass
Calculate m/z
362.055718
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)
LAUCRYBCEJFUOQ-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C18H15ClO6/c1-7(9(3)20)10-5-13(21)8(2)16-17(10)24-15-6-14(22)12(19)4-11(15)18(23)25-16/h4-6,9,20-22H,1H2,2-3H3/t9-/m0/s1
SMILES (Click to copy)
C1=C(Cl)C(O)=CC2OC3=C(C([C@@H](O)C)=C)C=C(O)C(C)=C3OC(=O)C1=2

Other Databases

PubChem CID
171119337

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 307.91
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.06
Molar Refractivity 92.22

Admin

Created at
5th Feb 2022
Updated at
5th Feb 2022