Selaginella convoluta is a desiccation tolerant plant native to the Brazilian semiarid region (Caatinga), endowed with an effective drought resistance mechanism. As part of our research efforts to understand the chemical diversity of S. convoluta, dehydrated (harvested in their natural habitat in the dry season) and hydrated (plant acclimated in a laboratory after rehydration) specimens were analyzed by HR-LC-ESI-MS/MS followed by a structural annotation on the Global Natural Products Social Molecular Networking Web platform. The molecular networking approach allowed for putative annotation of 39 metabolites, mainly selaginellins and flavonoids. Based on MS/MS data, three unprecedented selaginellins were annotated: 29-hydroxy selaginellin O, 29-hydroxy selaginellin A, and 4-{[2-(4-hydrophenyl)-6-[2-(4-hydroxyphenyl)ethynyl]phenyl](4-oxocyclohexa-2,5-dien-1-ylidene)methyl}benzaldehyde. Th results pointed out that valuable scientific knowledge can be obtained from studies conducted with plants in their natural habitat by allowing a more realistic profile of chemical diversity. The present study adds new information on specialized metabolites of S. convoluta, mainly flavonoids and selaginellins, and highlights the species as an untapped source of chemobiodiversity from Caatinga.

中文翻译：

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分子网络揭示卷柏中黄酮类化合物和卷柏素的化学多样性

Selaginella convoluta 是一种原产于巴西半干旱地区 (Caatinga) 的耐旱植物，具有有效的抗旱机制。作为我们了解 S. convoluta 化学多样性的研究工作的一部分，通过 HR-LC-ESI-MS 分析了脱水（在旱季在其自然栖息地收获）和水合（再水化后在实验室中适应的植物）标本/MS 后跟全球天然产物社交分子网络网络平台上的结构注释。分子网络方法允许对 39 种代谢物进行推定注释，主要是卷柏素和黄酮类化合物。基于 MS/MS 数据，注释了三种前所未有的 selaginellins：29-羟基 selaginellin O、29-羟基 selaginellin A 和 4-{[2-(4-hydrophenyl)-6-[2-(4-hydroxyphenyl)ethynyl]苯基](4-oxocyclohexa-2, 5-dien-1-ylidene)methyl}苯甲醛。结果指出，通过对植物的自然栖息地进行研究，可以获得更真实的化学多样性概况，从而获得宝贵的科学知识。本研究增加了关于 S. convoluta 特殊代谢物的新信息，主要是类黄酮和卷柏素，并强调该物种是 Caatinga 未开发的化学生物多样性来源。