Dataset

methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz o[1,2-g]indolo[2,3-a]quinolizinecarboxylate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00930 contains the MS2 mass spectrum of methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz o[1,2-g]indolo[2,3-a]quinolizinecarboxylate with the InChIkey BLGXFZZNTVWLAY-SCYLSFHTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
SMILES COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
InChI Key BLGXFZZNTVWLAY-SCYLSFHTSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 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-BML00930
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:39.995182
MetadataModified 2024-01-11T22:28:40.152396
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
102 Guide to Pharmacology
J9.366A Nikkaji
MCULE-1043513122 Mcule
SCHEMBL33954 SureChEMBL
60026147 NMRShiftDB
PD009520 ProbesDrugs
yohimbine Atlas
2Y49VWD90Q FDA SRS
14754428 PubChem: Thomson Pharma
146-48-5 ACToR
PA451946 PharmGKB
14852160 PubChem: Thomson Pharma
LSM-2779 LINCS
3659 DrugCentral
ZINC000003860825 ZINC
ZZZSHG CCDC
50013515 BindingDB
50203564 BindingDB
YOHIMBINE DailyMed
YOHIMBINE rxnorm
YOHIMBINE HYDROCHLORIDE rxnorm
YOCON rxnorm
YOHIMBINE clinicaltrials
YOHIMBINE HYDROCHLORIDE clinicaltrials
HY-12715 MedChemExpress
DTXSID9040130 EPA CompTox Dashboard
MTBLC10093 Metabolights
95376 Brenda
CB4129677 ChemicalBook
yohimbine DailyMed
HMDB0015464 Human Metabolome Database
8969 PubChem
CHEMBL15245 ChEMBL
10093 ChEBI
DB01392 DrugBank
C09256 KEGG Ligand
1933610 eMolecules
The data in this table is sourced from UniChem at EBI.