Dataset

Teniposide

This MassBank record with Accession MSBNK-Waters-WA002621 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-WA002621
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:54.258545
MetadataModified 2025-02-09T20:19:51.904558
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL452231 ChEMBL
75988 ChEBI
NSC-122819 clinicaltrials
VUMON clinicaltrials
VM-26 clinicaltrials
HY-13761 MedChemExpress
6843 Guide to Pharmacology
DB00444 DrugBank
2590 DrugCentral
J4.519E Nikkaji
KUXJUL CCDC
TENIPOSIDE DailyMed
230131 Brenda
230132 Brenda
TENIPOSIDE rxnorm
50248198 BindingDB
TENIPOSIDE clinicaltrials
92456 Brenda
12703 Brenda
ZINC000004099009 ZINC
teniposide DailyMed
SCHEMBL3908 SureChEMBL
452548 PubChem
9TP PDBe
14912717 PubChem: Thomson Pharma
957E6438QA FDA SRS
Teniposide(Vumon) Selleck
PD012680 ProbesDrugs
29781184 eMolecules
The data in this table is sourced from UniChem at EBI.