Bryotoxin A (BioDeep_00000007015)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

[2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate

化学式: C32H42O12 (618.2676132)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 1.27%

分子结构信息

SMILES: CC(=O)OC1CC(C)OC(OC2CCC3(C=O)C4C(O)C(=O)C5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)C1O
InChI: InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19+,20-,21-,22-,24-,25+,26+,28+,29+,30+,31+,32+/m1/s1

描述信息

A bufadienolide glycoside that is 3,5,11,14-tetrahydroxy-12,19-dioxobufa-20,22-dienolide attached to a 3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl residue at position 3 via a glycosidic linkage.
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides

同义名列表

3 个代谢物同义名

Bryotoxin A; [2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate; Bryotoxin A

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:3201
KEGG: C08853
PubChem: 441848
PubChem: 127793
Metlin: METLIN67227
KNApSAcK: C00003607
CAS: 101329-50-4
PMhub: MS000020243
MetaboLights: MTBLC3201
PubChem: 11046
3DMET: B02462
NIKKAJI: J2.767.227B
RefMet: Bryotoxin A
KNApSAcK: 3201
LOTUS: LTS0035548

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)

8 个相关的物种来源信息

7458 - Apidae: LTS0035548
7459 - Apis: LTS0035548
7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
7461 - Apis cerana: LTS0035548
6656 - Arthropoda: LTS0035548
2759 - Eukaryota: LTS0035548
50557 - Insecta: LTS0035548
33208 - Metazoa: LTS0035548

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

R A McKenzie, F P Franke, P J Dunster. The toxicity for cattle of bufadienolide cardiac glycosides from Bryophyllum tubiflorum flowers. Australian veterinary journal. 1989 Nov; 66(11):374-6. doi: 10.1111/j.1751-0813.1989.tb09741.x. [PMID: 2619654]
S Tsuji, K Nakagawa, T Fukushima. Genetically controlled quantitative variation of ornithine transcarbamylase in the chick kidney. Biochemical genetics. 1983 Oct; 21(9-10):857-69. doi: 10.1007/bf00483945. [PMID: 6419722]
H H Borden, R W Harris, W E Mosher. A waterborne outbreak of gastroenteritis in western New York State. American journal of public health and the nation's health. 1970 Feb; 60(2):283-8. doi: 10.2105/ajph.60.2.283. [PMID: 5460971]