Dataset

5(S)-5-carboxystrictosidine

This MassBank record with Accession MSBNK-RIKEN-PR304633 contains the MS2 mass spectrum of 5(S)-5-carboxystrictosidine with the InChIkey LHKZIVMTXZLOTP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)
SMILES COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O
InChI Key LHKZIVMTXZLOTP-UHFFFAOYSA-N
Molecular Formula C28H34N2O11
Exact Mass 574.583 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-PR304633
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:07.686484
MetadataModified 2024-01-11T20:44:07.833103
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
53463172 PubChem
70002316 NMRShiftDB
The data in this table is sourced from UniChem at EBI.