AI3-11269 (BioDeep_00000859401)

Main id: BioDeep_00000630625

 

PANOMIX_OTCML-2023


代谢物信息卡片


4-02-00-00165 (Beilstein Handbook Reference)

化学式: C10H20O2 (172.14632200000003)
中文名称: 乙酸辛酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(OCCCCCCCC)=O
InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3

描述信息

Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].
Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].

同义名列表

27 个代谢物同义名

4-02-00-00165 (Beilstein Handbook Reference); Acetic acid, octyl ester; Acetic acid octyl ester; Octyl acetate (natural); Octyl alcohol acetate; Octyl acetate, normal; N-Octanyl acetate; 1-Octanol acetate; N-Octyl ethanoate; EINECS 203-939-6; Caprylyl acetate; W280615_ALDRICH; Octyl ethanoate; 1-Octyl acetate; NCIOpen2_000238; W280607_ALDRICH; N-Octyl acetate; FEMA No. 2806; O5500_ALDRICH; Octyl acetate; Acetate C-8; BRN 1754554; AI3-11269; NSC 67348; WLN: 8OV1; NSC67348; 112-14-1



数据库引用编号

5 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)

63 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

  • Hafize Yuca, Bilge Aydin, Songul Karakaya, Gamze Goger, Zeynebe Bingöl, Ayşe Civas, Mehmet Koca, Betül Demirci, Oksana Sytar, Ilhami Gulcin, Zuhal Guvenalp. Exploring Astrodaucus orientalis (L.) Drude: Phytochemical Analysis and its Biological Potential Against Alzheimer's and Diabetes. Chemistry & biodiversity. 2023 Dec; ?(?):e202301753. doi: 10.1002/cbdv.202301753. [PMID: 38156418]
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  • Mohammed El Amine Dib, Nassim Djabou, Jean-Marie Desjobert, Houcine Allali, Boufeldja Tabti, Alain Muselli, Jean Costa. Characterization of volatile compounds of Daucus crinitus Desf. Headspace Solid Phase Microextraction as alternative technique to Hydrodistillation. Chemistry Central journal. 2010 Sep; 4(?):16. doi: 10.1186/1752-153x-4-16. [PMID: 20858266]
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