Ethirimol (BioDeep_00000012434)

   

natural product Volatile Flavor Compounds


代谢物信息卡片


Pesticide6_Ethirimol_C11H19N3O_882476

化学式: C11H19N3O (209.15280439999998)
中文名称: 乙嘧酚
谱图信息: 最多检出来源 Viridiplantae(plant) 20.41%

分子结构信息

SMILES: CCCCC1=C(N=C(NC1=O)NCC)C
InChI: InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)

描述信息

INTERNAL_ID 356; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3299; ORIGINAL_PRECURSOR_SCAN_NO 3298
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6953; ORIGINAL_PRECURSOR_SCAN_NO 6949
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3301; ORIGINAL_PRECURSOR_SCAN_NO 3298
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6959; ORIGINAL_PRECURSOR_SCAN_NO 6955
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3299; ORIGINAL_PRECURSOR_SCAN_NO 3298
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3377; ORIGINAL_PRECURSOR_SCAN_NO 3375
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3303; ORIGINAL_PRECURSOR_SCAN_NO 3299
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6985; ORIGINAL_PRECURSOR_SCAN_NO 6980
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3289; ORIGINAL_PRECURSOR_SCAN_NO 3286
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6930; ORIGINAL_PRECURSOR_SCAN_NO 6927
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3299; ORIGINAL_PRECURSOR_SCAN_NO 3296
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6952; ORIGINAL_PRECURSOR_SCAN_NO 6951
CONFIDENCE standard compound; INTERNAL_ID 356; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6974; ORIGINAL_PRECURSOR_SCAN_NO 6972

同义名列表

3 个代谢物同义名

Ethirimol; Pesticide6_Ethirimol_C11H19N3O_882476; Ethirimol



数据库引用编号

27 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

0 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Zenglong Chen, Ziqi Liu, Xin Ren, Shanshan Kang, Li Wei, Lilin Zhao. Health risks of dietary ethirimol exposure demand attention in China: A study of nationwide applications. Chemosphere. 2023 Aug; 331(?):138810. doi: 10.1016/j.chemosphere.2023.138810. [PMID: 37127195]
  • P Proença, E Pinho Marques, H Teixeira, F Castanheira, M Barroso, S Avila, D N Vieira. A fatal forensic intoxication with fenarimol: analysis by HPLC/DAD/MSD. Forensic science international. 2003 Apr; 133(1-2):95-100. doi: 10.1016/s0379-0738(03)00054-9. [PMID: 12742694]