Acalyphin (BioDeep_00000000670)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

3-(beta-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile

化学式: C14H20N2O9 (360.11687500000005)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 23.29%

分子结构信息

SMILES: CN1C(=O)C=C([C@](C#N)([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC
InChI: InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1

描述信息

Acalyphin is a member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has a role as a plant metabolite. It is a beta-D-glucoside, a tetrahydropyridine, an enol ether, a delta-lactam and an aliphatic nitrile.
A member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond.

同义名列表

4 个代谢物同义名

3-(beta-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile; 3-(beta-D-glucopyranosyloxy)-2-hydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile; Acalyphin; Acalyphin

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:2372
KEGG: C08324
PubChem: 49787014
Metlin: METLIN66904
KNApSAcK: C00001436
CAS: 81861-72-5
medchemexpress: HY-122764
PMhub: MS000019824
MetaboLights: MTBLC2372
PubChem: 10522
NIKKAJI: J2.701.387B
RefMet: Acalyphin
KNApSAcK: 2372
LOTUS: LTS0055159

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)

9 个相关的物种来源信息

20025 - Acalypha: LTS0055159
478095 - Acalypha indica: 10.1016/J.PHYTOCHEM.2008.12.011
478095 - Acalypha indica: LTS0055159
2759 - Eukaryota: LTS0055159
3977 - Euphorbiaceae: LTS0055159
3398 - Magnoliopsida: LTS0055159
35493 - Streptophyta: LTS0055159
58023 - Tracheophyta: LTS0055159
33090 - Viridiplantae: LTS0055159

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。