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
29781184 eMolecules
92456 Brenda
12703 Brenda
teniposide DailyMed
ZINC000004099009 ZINC
TENIPOSIDE DailyMed
230131 Brenda
230132 Brenda
TENIPOSIDE rxnorm
50248198 BindingDB
75988 ChEBI
NSC-122819 clinicaltrials
TENIPOSIDE clinicaltrials
VUMON clinicaltrials
VM-26 clinicaltrials
HY-13761 MedChemExpress
6843 Guide to Pharmacology
DB00444 DrugBank
2590 DrugCentral
452548 PubChem
9TP PDBe
14912717 PubChem: Thomson Pharma
957E6438QA FDA SRS
Teniposide(Vumon) Selleck
PD012680 ProbesDrugs
KUXJUL CCDC
J4.519E Nikkaji
SCHEMBL3908 SureChEMBL
The data in this table is sourced from UniChem at EBI.