Dataset

Allocryptopine

This MassBank record with Accession MSBNK-Keio_Univ-KO008813 contains the MS3 mass spectrum of Allocryptopine with the InChIkey HYBRYAPKQCZIAE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
SMILES	COc(c4)c(OC)c(C3)c(c4)CC(=O)c(c1)c(CCN(C)3)cc(O2)c(OC2)1
InChI Key	HYBRYAPKQCZIAE-UHFFFAOYSA-N
Molecular Formula	C21H23NO5
Exact Mass	369.158 g/mol

Data and Resources

AllocryptopineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO008813
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:11.105135
MetadataModified	2025-02-09T14:29:11.029543
MetadataPublished	2011-12-05

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
17390	ChEBI
C02134	KEGG Ligand
CHEMBL520043	ChEMBL
CB1400755	ChemicalBook
HY-N1933	MedChemExpress
HMDB0302683	Human Metabolome Database
J12.568G	Nikkaji
GEMGAG	CCDC
50130203	BindingDB
98570	PubChem
60021977	NMRShiftDB
PD098705	ProbesDrugs
15473280	PubChem: Thomson Pharma
24240-04-8	ACToR
485-91-6	ACToR
EK27J8ROYB	FDA SRS
769002	eMolecules
29720	Brenda
CB4400756	ChemicalBook
ZINC000019204597	ZINC
17390	Rhea
MTBLC17390	Metabolights
SCHEMBL673252	SureChEMBL
MCULE-6414657551	Mcule
The data in this table is sourced from UniChem at EBI.