Dataset

Teniposide

This MassBank record with Accession MSBNK-Waters-WA002626 contains the MS mass spectrum of Teniposide with the InChIkey NRUKOCRGYNPUPR-QBPJDGROSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
SMILES C(C([H])54)(c(c(C(OC(C8O)(OC([H])(C7([H])C(O)8)COC(O7)c(c6)scc6)[H])C4(COC5=O)[H])3)cc(c2c3)OCO2)c(c1)cc(OC)c(c1OC)O
InChI Key NRUKOCRGYNPUPR-QBPJDGROSA-N
Molecular Formula C32H32O13S
Exact Mass 656.156 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002626
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:48.439295
MetadataModified 2024-01-11T22:49:48.622492
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL452231 ChEMBL
HY-13761 MedChemExpress
6843 Guide to Pharmacology
DB00444 DrugBank
2590 DrugCentral
ZINC000004099009 ZINC
VM-26 clinicaltrials
VUMON clinicaltrials
NSC-122819 clinicaltrials
75988 ChEBI
TENIPOSIDE clinicaltrials
230132 Brenda
TENIPOSIDE rxnorm
50248198 BindingDB
230131 Brenda
TENIPOSIDE DailyMed
KUXJUL CCDC
J4.519E Nikkaji
12703 Brenda
teniposide DailyMed
92456 Brenda
9TP PDBe
PD012680 ProbesDrugs
14912717 PubChem: Thomson Pharma
Teniposide(Vumon) Selleck
957E6438QA FDA SRS
SCHEMBL3908 SureChEMBL
452548 PubChem
29781184 eMolecules
The data in this table is sourced from UniChem at EBI.