cornusiin E (BioDeep_00000228988)

human metabolite natural product

代谢物信息卡片

3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxy-2-{[3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-5-yl]oxy}benzoate

化学式: C82H58O52 (1874.1894)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)OC8=C(C(=C(C=C8C(=O)OC9C(C1C(COC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)OC9OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O
InChI: InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-74(115)21-7-34(89)52(100)35(90)8-21)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)16-123-77(118)24-12-39(94)55(103)60(108)46(24)48-26(79(120)128-65)15-42(58(106)62(48)110)124-64-27(14-41(96)57(105)63(64)111)80(121)132-70-68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82(70)134-75(116)22-9-36(91)53(101)37(92)10-22)17-122-76(117)23-11-38(93)54(102)59(107)45(23)47-25(78(119)127-66)13-40(95)56(104)61(47)109/h1-15,43-44,65-70,81-111H,16-17H2

描述信息

Cornusiin e is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Cornusiin e is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cornusiin e can be found in a number of food items such as ceylon cinnamon, chives, black crowberry, and kumquat, which makes cornusiin e a potential biomarker for the consumption of these food products.

同义名列表

3 个代谢物同义名

数据库引用编号

8 个数据库交叉引用编号

PubChem: 16170937
HMDB: HMDB0304295
Wikipedia: Cornusiin E
MetaCyc: CPD-8950
KNApSAcK: C00035275
foodb: FDB030741
PMhub: MS000088451
LOTUS: LTS0268654

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)

14 个相关的物种来源信息

42219 - Cornaceae: LTS0268654
4281 - Cornus: LTS0268654
16906 - Cornus officinalis: 10.1248/CPB.37.2665
16906 - Cornus officinalis: LTS0268654
2759 - Eukaryota: LTS0268654
9606 - Homo sapiens: -
3398 - Magnoliopsida: LTS0268654
3792 - Saxifragaceae: LTS0268654
35493 - Streptophyta: LTS0268654
23273 - Tellima: LTS0268654
29775 - Tellima grandiflora: 10.1016/S0031-9422(03)00280-2
29775 - Tellima grandiflora: LTS0268654
58023 - Tracheophyta: LTS0268654
33090 - Viridiplantae: LTS0268654

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。

亚细胞结构定位		关联基因列表

文献列表

Ruth Niemetz, Gerhard Schilling, Georg G Gross. Biosynthesis of the dimeric ellagitannin, cornusiin E, in Tellima grandiflora. Phytochemistry. 2003 Sep; 64(1):109-114. doi: 10.1016/s0031-9422(03)00280-2. [PMID: 12946409]
. . . . doi: . [PMID: 14599517]