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Machine learning-assisted structure annotation of natural products based on MS and NMR data 期刊论文
NATURAL PRODUCT REPORTS, 2023, 卷号: 40, 期号: 11, 页码: 1735-1753
作者:  Hu,Guilin;  Qiu,Minghua
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H-1-NMR CHEMICAL-SHIFTS  STRUCTURE-BASED PREDICTIONS  TANDEM MASS-SPECTRA  STRUCTURE ELUCIDATION  NEURAL-NETWORK  METABOLITE IDENTIFICATION  COMP  
Phaeosphspirone (1/1 '), a pair of unique polyketide enantiomers with an unusual 6/5/5/6 tetracyclic ring from the desert plant endophytic fungus Phaeosphaeriaceae sp. 期刊论文
PHYTOCHEMISTRY, 2022, 卷号: 194, 页码: 112969
作者:  Xu,Zhen-Lu;  Yan,Dao-Jiang;  Tan,Xiang-Mei;  Niu,Shu-Bin;  Yu,Meng;  Sun,Bing-Da;  Ding,Cai-Feng;  Zhang,Yong-Gang;  Ding,Gang
收藏  |  浏览/下载：425/0  |  提交时间：2022/04/02
Phaeosphspirone  Phaeosphaeriaceae  Absolute configurations  Biosynthetic pathway  Cytotoxicity  ASSISTED STRUCTURE ELUCIDATION  BIOSYNTHESIS  REVISION  
Hyperpatone A, a polycyclic polyprenylated acylphloroglucinol with a rare 8/6/5/6/5 pentacyclic skeleton from Hypericum patulum 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2022, 卷号: 21, 期号: 1, 页码: 140-146
作者:  Zhang, Feng;  Yang, Jue;  Yi, Ping;  Li, Ya-Nan;  Hao, Xiao-Jiang;  Yuan, Chun-Mao
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ASSISTED STRUCTURE ELUCIDATION  
Two new seco-polycyclic polyprenylated acylphloroglucinol from Hypericum sampsonii 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2021, 卷号: 19, 期号: 1, 页码: 216-219
作者:  Zhang,Zi-Zhen;  Zeng,Yan-Rong;  Li,Ya-Nan;  Hu,Zhan-Xing;  Huang,Lie-Jun;  Gu,Wei;  Hao,Xiao-Jiang;  Yuan,Chun-Mao
收藏  |  浏览/下载：237/0  |  提交时间：2022/04/02
ASSISTED STRUCTURE ELUCIDATION  DERIVATIVES  
New guaiane-type sesquiterpenoid dimers from Artemisia atrovirens and their antihepatoma activity 期刊论文
ACTA PHARMACEUTICA SINICA B, 2021, 卷号: 11, 期号: 6, 页码: 1648-1666
作者:  Su,Lihua;  Zhang,Xintian;  Ma,Yunbao;  Geng,Changan;  Huang,Xiaoyan;  Hu,Jing;  Li,Tianze;  Tang,Shuang;  Shen,Cheng;  Gao,Zhen;  Zhang,Xuemei;  Chen,Ji-Jun
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Guaianolide dimers  Artematrolides AeR  Artemisia atrovirens  Cytotoxicity  Cell cycle  Apoptosis  FARNESYL-PROTEIN TRANSFERASE  CELL-CYCLE ARREST  HEPATOCELLULAR-CARCINOMA  GUAIANOLIDES  LACTONES  INHIBITORS  ARTEMINOLIDE  APOPTOSIS  ARGYI  HELA  
A strategy combining solid-phase extraction, multiple mass defect filtering and molecular networking for rapid structural classification and annotation of natural products: characterization of chemical diversity in Citrus aurantium as a case study 期刊论文
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2021, 卷号: 413, 期号: 11, 页码: 2879-2891
作者:  Wang,Yi-Kun;  Xiao,Xue-Rong;  Zhou,Zi-Meng;  Xiao,Yao;  Zhu,Wei-Feng;  Liu,Hong-Ning;  Li,Fei
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Solid-phase extraction  Multiple mass defect filtering  Molecular networking  Natural products annotation  Structure and substructure classifications  
Diarylheptanoid-chalcone hybrids with PTP1B and alpha-glucosidase dual inhibition from Alpinia katsumadai 期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 108, 页码: 104683
作者:  He,Xiao-Feng;  Chen,Ji-Jun;  Li,Tian-Ze;  Hu,Jing;  Zhang,Xue-Mei;  Geng,Chang-An
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Alpinia katsumadai  Katsumadainols A(1)-A(16)  PTP1B/TCPTP selective inhibitors  alpha-glucosidase inhibitors  Antidiabetic effects  THEORETICAL CALCULATION  ABSOLUTE-CONFIGURATION  SEEDS  BLEPHAROCALYXINS  ADDUCT  MOIETY  
Structures of fructan and galactan from Polygonatum cyrtonema and their utilization by probiotic bacteria 期刊论文
CARBOHYDRATE POLYMERS, 2021, 卷号: 267, 页码: 118219
作者:  Zhang,Junyin;  Chen,Hulan;  Luo,Lan;  Zhou,Zhipeng;  Wang,Yingxiang;  Gao,Tianyu;  Yang,Lian;  Peng,Teng;  Wu,Mingyi
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Polygonatum cyrtonema  Polysaccharide  Structural elucidation  Bifidobacterium and Lactobacillus strains  Prebiotic activity  CHEMICAL-SHIFT ASSIGNMENTS  PHYSICOCHEMICAL CHARACTERISTICS  ANTICOAGULANT ACTIVITIES  CONFORMATIONAL-ANALYSIS  MALDI-TOF  POLYSACCHARIDES  GROWTH  POLYMERIZATION  STRAINS  AGAVE  
Rapid and unambiguous assignment of proton-deficient N-acyl amidine indole alkaloid by a combination of calculation methods 期刊论文
TETRAHEDRON LETTERS, 2021, 卷号: 68, 页码: 152949
作者:  Ding,Cai-Feng;  Yu,Hao-Fei;  Shi,Xiao-Long;  Ge,Shi-Cheng;  Njateng,Guy S. S.;  Qin,Xu-Jie;  Dai,Zhi;  Zhang,Rong-Ping;  Zhang,Hong-Bin;  Luo,Xiao-Dong
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N-acyl amidine  Voafriamidine  Calculation methods  Antimicrobial activity  ASSISTED STRUCTURE ELUCIDATION  APORPHINE  DERIVATIVES  C-13  TOOL  
Macathiohydantoin L, a Novel Thiohydantoin Bearing a Thioxohexahydroimidazo [1,5-a] Pyridine Moiety from Maca (Lepidium meyenii Walp.) 期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 16, 页码: 4934
作者:  Zhang,Ranran;  Liu,Junhong;  Yan,Hui;  Peng,Xingrong;  Zhang,Ling;  Qiu,Minghua
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Lepidium meyenii  thiohydantoins  thioxohexahydroimidazo [1  5-a] pyridine  neuroprotective activities  IMIDAZOLE ALKALOIDS  DERIVATIVES  EXTRACTION  MACAMIDES  HYDANTOIN  ANALOGS  TUBERS