Cichorioside B (BioDeep_00000226974)

human metabolite natural product

代谢物信息卡片

(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

化学式: C21H28O10 (440.16823880000004)
中文名称:
谱图信息: 最多检出来源 Escherichia coli(natural_products) 50%

分子结构信息

SMILES: CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1
InChI: InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,10-,12+,14+,15-,16+,17-,18+,19-,21+/m0/s1

描述信息

Cichorioside b is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cichorioside b is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside b can be found in chicory and endive, which makes cichorioside b a potential biomarker for the consumption of these food products.

同义名列表

3 个代谢物同义名

(3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione; (3S,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione; Cichorioside B

数据库引用编号

6 个数据库交叉引用编号

PubChem: 101701639
HMDB: HMDB0302050
foodb: FDB001795
chemspider: 59696256
CAS: 117037-78-2
LOTUS: LTS0106950

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)

31 个相关的物种来源信息

4210 - Asteraceae: LTS0106950
13426 - Cichorium: LTS0106950
114280 - Cichorium endivia: 10.1248/CPB.36.2423
114280 - Cichorium endivia: 10.1248/CPB.56.1445
114280 - Cichorium endivia: LTS0106950
13427 - Cichorium intybus:
13427 - Cichorium intybus: 10.1016/S0031-9422(01)00072-3
13427 - Cichorium intybus: 10.1248/CPB.36.2423
13427 - Cichorium intybus: LTS0106950
77552 - Crepidiastrum: LTS0106950
77562 - Crepidiastrum keiskeanum: 10.1248/CPB.33.4906
77562 - Crepidiastrum keiskeanum: LTS0106950
2759 - Eukaryota: LTS0106950
9606 - Homo sapiens: -
4235 - Lactuca: LTS0106950
75953 - Lactuca indica: 10.1021/NP0205349
4236 - Lactuca sativa: 10.1016/J.FOODCHEM.2009.11.056
4236 - Lactuca sativa: LTS0106950
75952 - Lactuca tatarica:
75952 - Lactuca tatarica: 10.1016/J.FITOTE.2009.07.001
75952 - Lactuca tatarica: 10.1016/S0031-9422(96)00820-5
75952 - Lactuca tatarica: LTS0106950
2977607 - Lactuca triangulata: LTS0106950
75947 - Lactuca virosa: 10.1016/S0031-9422(97)80019-2
75947 - Lactuca virosa: LTS0106950
3398 - Magnoliopsida: LTS0106950
687671 - Mulgedium: LTS0106950
1233964 - Mulgedium pulchellum:
35493 - Streptophyta: LTS0106950
58023 - Tracheophyta: LTS0106950
33090 - Viridiplantae: LTS0106950

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。