Dataset

Homoharringtonine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00920 contains the MS2 mass spectrum of Homoharringtonine with the InChIkey HYFHYPWGAURHIV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3
SMILES CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
InChI Key HYFHYPWGAURHIV-UHFFFAOYSA-N
Molecular Formula C29H39NO9
Exact Mass 545.262 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-BML00920
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:45.322068
MetadataModified 2024-01-11T22:28:45.508799
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL93487 SureChEMBL
HMDB0253207 Human Metabolome Database
70044367 NMRShiftDB
15108507 PubChem: Thomson Pharma
3628 PubChem
PD056579 ProbesDrugs
CHEMBL175858 ChEMBL
The data in this table is sourced from UniChem at EBI.