Dataset

erythromycin ethylsuccinate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81208 contains the MS mass spectrum of erythromycin ethylsuccinate with the InChIkey NSYZCCDSJNWWJL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3
SMILES CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
InChI Key NSYZCCDSJNWWJL-UHFFFAOYSA-N
Molecular Formula C43H75NO16
Exact Mass 861.509 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-BML81208
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:00.035436
MetadataModified 2024-01-11T22:25:00.212117
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
94382 ChEBI
CHEMBL4550869 ChEMBL
3256 PubChem
LSM-5056 LINCS
PD003007 ProbesDrugs
MCULE-7434719386 Mcule
HMDB0251936 Human Metabolome Database
SAM002564242 NIH Clinical Collection
538180 eMolecules
The data in this table is sourced from UniChem at EBI.