Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Aug 8;13:4619. doi: 10.1038/s41467-022-32016-6

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

PMC Copyright notice

Fig. 3 — a The workflow combined automated in-silico MS/MS and NMR annotation tools for fast compound class identification and dereplication of known natural products exemplified by the new natural product rivulariapeptolide 1185. b Molecular networking and SMART analysis suggested the presence of an Ahp-cyclodepsipeptide molecular family. c In-depth MS and MS/MS analysis of the new natural products with SIRIUS helped to establish the molecular formula and substructural information about the characteristic N-acylated proline residues. d Unambiguous structure elucidation by various 1D/2D NMR and MS/MS experiments led to the planar structure of rivulariapeptolide 1185. Selected 2D NMR-derived correlations and MS² fragmentations are depicted. The distinctive structural moieties are highlighted in blue bubbles and are described in the associated blue captions of panels b–d. Residues (R1–R4) highlighted in red represent unknown structural elements at the current analysis stage in panels b–d.