Dataset

Lyalosidic acid

This MassBank record with Accession MSBNK-RIKEN-PR300208 contains the MS2 mass spectrum of Lyalosidic acid with the InChIkey UZLBTLIRYSYTRG-FMKZDVGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-8,11-12,15,19,21-23,25-26,28-32H,1,9-10H2,(H,33,34)/t12-,15-,19-,21-,22+,23-,25+,26+/m1/s1
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](CC3=NC=CC4=C3NC3=CC=CC=C43)[C@H]2C=C)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key UZLBTLIRYSYTRG-FMKZDVGKSA-N
Molecular Formula C26H28N2O9
Exact Mass 512.515 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-PR300208
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:27:36.920473
MetadataModified 2025-02-09T18:30:03.112072
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832353 PubChem
The data in this table is sourced from UniChem at EBI.