Dataset

Triptolide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82487 contains the MS mass spectrum of Triptolide with the InChIkey DFBIRQPKNDILPW-CIVMWXNOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
SMILES CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
InChI Key DFBIRQPKNDILPW-CIVMWXNOSA-N
Molecular Formula C20H24O6
Exact Mass 360.157 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-BML82487
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:12.012549
MetadataModified 2024-01-11T22:25:12.173931
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-32735 MedChemExpress
TRIPTOLIDE clinicaltrials
50241049 BindingDB
ZINC000008234271 ZINC
DTXSID5041144 EPA CompTox Dashboard
9747 ChEBI
CB2167404 ChemicalBook
DB12025 DrugBank
18067 Brenda
SCHEMBL413634 SureChEMBL
J37.200E Nikkaji
TRIPOL CCDC
14828264 PubChem: Thomson Pharma
107985 PubChem
60025124 NMRShiftDB
TLI PDBe
PD000121 ProbesDrugs
14779021 PubChem: Thomson Pharma
19ALD1S53J FDA SRS
LSM-5518 LINCS
38748-32-2 ACToR
triptolide Selleck
Triptolide Atlas
29936953 eMolecules
36754909 eMolecules
29702942 eMolecules
29781300 eMolecules
CHEMBL463763 ChEMBL
12013260 PubChem: Drugs of the Future
C09204 KEGG Ligand
SAM001246553 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.