Structure Database (LMSD)

Common Name
Patulolide B
Systematic Name
4-oxo-2Z-dodecen-11R-olide
Synonyms
LM ID
LMFA07040123
Status
Active
Exact Mass
Calculate m/z
210.125595
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XETYGXGLGYXEIT-HSTULFTRSA-N
InChi (Click to copy)
InChI=1S/C12H18O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-10H,2-7H2,1H3/b9-8-/t10-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCCCCC(=O)C=C1)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Penicillium urticae (#29844)
Eurotiomycetes (#147545)
New macrolides from Penicillium urticae mutant S11R59.,
J Antibiot (Tokyo), 1986
Pubmed ID: 3733512

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 222.25
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 2.68
Molar Refractivity 57.91

Admin

Created at
22nd Jun 2020
Updated at
22nd Jun 2020