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中国科学院昆明植物研究所知识管理系统
Knowledge Management System of Kunming Institute of Botany,CAS
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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
Authors:
Hu,Guilin
;
Qiu,Minghua
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Submit date:2024/07/10
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
Authors:
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
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Submit date: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
Authors:
Zhang, Feng
;
Yang, Jue
;
Yi, Ping
;
Li, Ya-Nan
;
Hao, Xiao-Jiang
;
Yuan, Chun-Mao
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Submit date:2024/04/30
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
Authors:
Zhang,Zi-Zhen
;
Zeng,Yan-Rong
;
Li,Ya-Nan
;
Hu,Zhan-Xing
;
Huang,Lie-Jun
;
Gu,Wei
;
Hao,Xiao-Jiang
;
Yuan,Chun-Mao
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Submit date: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
Authors:
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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Submit date:2022/04/02
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
Authors:
Wang,Yi-Kun
;
Xiao,Xue-Rong
;
Zhou,Zi-Meng
;
Xiao,Yao
;
Zhu,Wei-Feng
;
Liu,Hong-Ning
;
Li,Fei
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Submit date:2022/04/02
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
Authors:
He,Xiao-Feng
;
Chen,Ji-Jun
;
Li,Tian-Ze
;
Hu,Jing
;
Zhang,Xue-Mei
;
Geng,Chang-An
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Submit date:2022/04/02
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
Authors:
Zhang,Junyin
;
Chen,Hulan
;
Luo,Lan
;
Zhou,Zhipeng
;
Wang,Yingxiang
;
Gao,Tianyu
;
Yang,Lian
;
Peng,Teng
;
Wu,Mingyi
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Submit date:2022/04/02
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
Authors:
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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Submit date:2022/04/02
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
Authors:
Zhang,Ranran
;
Liu,Junhong
;
Yan,Hui
;
Peng,Xingrong
;
Zhang,Ling
;
Qiu,Minghua
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Submit date:2022/04/02
Lepidium meyenii
thiohydantoins
thioxohexahydroimidazo [1
5-a] pyridine
neuroprotective activities
IMIDAZOLE ALKALOIDS
DERIVATIVES
EXTRACTION
MACAMIDES
HYDANTOIN
ANALOGS
TUBERS