Dataset

Acarbose

This MassBank record with Accession MSBNK-Waters-WA001369 contains the MS mass spectrum of Acarbose with the InChIkey XUFXOAAUWZOOIT-UGEKTDRHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
SMILES OCC(=C1)C(O)C(O)C(O)C1NC(C(C)4)C(O)C(O)C(O4)OC(C(CO)3)C(O)C(O)C(O3)OC(C(CO)2)C(O)C(O)C(O)O2
InChI Key XUFXOAAUWZOOIT-UGEKTDRHSA-N
Molecular Formula C25H43NO18
Exact Mass 645.248 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-WA001369
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:51.679276
MetadataModified 2024-01-11T22:49:51.841523
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
23406 BindingDB
39 DrugCentral
2376 ChEBI
MCULE-2053937515 Mcule
J33.395F Nikkaji
SCHEMBL5316305 SureChEMBL
MolPort-002-507-369 MolPort
123080 Brenda
70121339 NMRShiftDB
PD000582 ProbesDrugs
41774 PubChem
16651262 PubChem: Thomson Pharma
LSM-4345 LINCS
4775595 eMolecules
C06802 KEGG Ligand
CHEMBL404271 ChEMBL
SAM001246733 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.