Dataset

Animicin A; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80751 contains the MS mass spectrum of Animicin A with the InChIkey UIFFUZWRFRDZJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)
SMILES CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
InChI Key UIFFUZWRFRDZJC-UHFFFAOYSA-N
Molecular Formula C28H40N2O9
Exact Mass 548.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80751
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12550 PubChem
    SCHEMBL3717357 SureChEMBL
    15358998 PubChem: Thomson Pharma
    27220-56-0 ACToR
    PD065481 ProbesDrugs
    C11339 KEGG Ligand
    J7.054H Nikkaji
    HMDB0248488 Human Metabolome Database
    MCULE-5886895477 Mcule
    The data in this table is sourced from UniChem at EBI.