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Furanoterpene diversity and variability in the marine sponge Spongia officinalis, from untargeted LC–MS/MS metabolomic profiling to furanolactam derivatives
Bauvais, C.; Bonneau, N.; Blond, A.; Pérez, T.; Bourguet-Kondracki, M.-L.; Zirah, S. (2017). Furanoterpene diversity and variability in the marine sponge Spongia officinalis, from untargeted LC–MS/MS metabolomic profiling to furanolactam derivatives. Metabolites 7(2): 27. https://dx.doi.org/10.3390/metabo7020027
In: Metabolites. MDPI AG: Basel. e-ISSN 2218-1989, more
Peer reviewed article  

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Keywords
    Spongia (Spongia) officinalis Linnaeus, 1759 [WoRMS]
    Marine/Coastal
Author keywords
    natural products; furanoterpene; glycinyl lactam; LC MS/MS; NMR spectroscopy; metabolomics; molecular network; marine sponge; Spongia officinalis

Authors  Top | Dataset 
  • Bauvais, C.
  • Bonneau, N.
  • Blond, A.
  • Pérez, T.
  • Bourguet-Kondracki, M.-L.
  • Zirah, S.

Abstract
    The Mediterranean marine sponge Spongia officinalis has been reported as a rich source of secondary metabolites and also as a bioindicator of water quality given its capacity to concentrate trace metals. In this study, we evaluated the chemical diversity within 30 S. officinalis samples collected over three years at two sites differentially impacted by anthropogenic pollutants located near Marseille (South of France). Untargeted liquid chromatography—mass spectrometry (LC–MS) metabolomic profiling (C18 LC, ESI-Q-TOF MS) combined with XCMS Online data processing and multivariate statistical analysis revealed 297 peaks assigned to at least 86 compounds. The spatio-temporal metabolite variability was mainly attributed to variations in relative content of furanoterpene derivatives. This family was further characterized through LC–MS/MS analyses in positive and negative ion modes combined with molecular networking, together with a comprehensive NMR study of isolated representatives such as demethylfurospongin-4 and furospongin-1. The MS/MS and NMR spectroscopic data led to the identification of a new furanosesterterpene, furofficin (2), as well as two derivatives with a glycinyl lactam moiety, spongialactam A (12a) and B (12b). This study illustrates the potential of untargeted LC–MS metabolomics and molecular networking to discover new natural compounds even in an extensively studied organism such as S. officinalis. It also highlights the effect of anthropogenic pollution on the chemical profiles within the sponge.

Dataset
  • Linares, Cristina; Figuerola, Laura; Gómez-Gras, Daniel; Pagès-Escolà, Marta; Olvera, Àngela, Aubach, Àlex; Amate, Roger; Figuerola, Blanca; Kersting, Diego; Ledoux, Jean-Baptiste; López-Sanz, Àngel; López-Sendino, Paula; Medrano, Alba; Garrabou, Joaquim; (2020); CorMedNet- Distribution and demographic data of habitat-forming invertebrate species from Mediterranean coralligenous assemblages between 1882 and 2019, more

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