Dataset

Strictosidine

This MassBank record with Accession MSBNK-RIKEN-PR311110 contains the MS2 mass spectrum of Strictosidine with the InChIkey XBAMJZTXGWPTRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3
SMILES O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C(C=C)C2CC4NCCC=3C=5C=CC=CC=5(NC=34)
InChI Key XBAMJZTXGWPTRM-UHFFFAOYSA-N
Molecular Formula C27H34N2O9
Exact Mass 530.574 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311110
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:50:32.775387
MetadataModified 2025-02-09T18:25:51.446049
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3262516 PubChem
HMDB0304492 Human Metabolome Database
70128882 NMRShiftDB
181769 ChEBI
The data in this table is sourced from UniChem at EBI.