Dataset

SAFRAMYCIN-A

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000146 contains the MS mass spectrum of SAFRAMYCIN-A with the InChIkey JNEGMBHBUAJRSX-KRPZRDOVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16?,17-,18-,19-,22?/m0/s1
SMILES O=C(C(C)=O)NCC(N52)(c(c1=O)c(CC2(C(c34)(N(C)C(C5([H])C#N)([H])Cc3c(c(c(OC)c4=O)C)=O)[H])[H])c(c(c(OC)1)C)=O)[H]
InChI Key JNEGMBHBUAJRSX-KRPZRDOVSA-N
Molecular Formula C29H30N4O8
Exact Mass 562.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000146
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:47.319149
MetadataModified 2024-01-11T15:57:47.476850
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134741569 PubChem
MJW34HDB0D FDA SRS
The data in this table is sourced from UniChem at EBI.