8-4'-Dehydrodiferulic acid (BioDeep_00000226708)

human metabolite natural product

代谢物信息卡片

(2E)-2-{4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

化学式: C20H18O8 (386.10016279999996)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C(O)C=CC(\C=C(\OC2=C(OC)C=C(\C=C/C(O)=O)C=C2)C(O)=O)=C1
InChI: InChI=1S/C20H18O8/c1-26-16-10-13(3-6-14(16)21)11-18(20(24)25)28-15-7-4-12(5-8-19(22)23)9-17(15)27-2/h3-11,21H,1-2H3,(H,22,23)(H,24,25)/b8-5-,18-11+

描述信息

8-4-dehydrodiferulic acid belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 8-4-dehydrodiferulic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 8-4-dehydrodiferulic acid can be found in a number of food items such as corn, semolina, common wheat, and hard wheat, which makes 8-4-dehydrodiferulic acid a potential biomarker for the consumption of these food products.

同义名列表

4 个代谢物同义名

(2E)-2-{4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; (2E)-2-{4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 8-4-Dehydrodiferulic acid; 8-4-Dehydrodiferulate

数据库引用编号

4 个数据库交叉引用编号

HMDB: HMDB0301723
foodb: FDB000271
chemspider: 59696646
LOTUS: LTS0021835

分类词条

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)

22 个相关的物种来源信息

2759 - Eukaryota: LTS0021835
9606 - Homo sapiens: -
4447 - Liliopsida: LTS0021835
3398 - Magnoliopsida: LTS0021835
4479 - Poaceae: LTS0021835
4549 - Secale: LTS0021835
4550 - Secale cereale: 10.1016/J.FOODCHEM.2005.07.053
4550 - Secale cereale: 10.1021/JF991266W
4550 - Secale cereale: LTS0021835
35493 - Streptophyta: LTS0021835
58023 - Tracheophyta: LTS0021835
4564 - Triticum: LTS0021835
4565 - Triticum aestivum: 10.1016/J.FOODCHEM.2005.07.053
4565 - Triticum aestivum: LTS0021835
4571 - Triticum turgidum: LTS0021835
4567 - Triticum turgidum subsp. durum: 10.1006/JCRS.2002.0464
4567 - Triticum turgidum subsp. durum: 10.1016/S0733-5210(98)90005-4
4567 - Triticum turgidum subsp. durum: LTS0021835
33090 - Viridiplantae: LTS0021835
4575 - Zea: LTS0021835
4577 - Zea mays: 10.1021/JF020957G
4577 - Zea mays: LTS0021835

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。