Angustibalin (BioDeep_00000000637)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-

化学式: C17H20O5 (304.13106700000003)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 25%

分子结构信息

SMILES: C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(C)=O)C12
InChI: InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1

描述信息

Angustibalin is a sesquiterpene lactone.
Angustibalin is a natural product found in Arnica longifolia and Arnica montana with data available.

同义名列表

16 个代谢物同义名

Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-; [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ethanoate; acetic acid [(3aR,5R,5aR,8aR,9S,9aR)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester; acetic acid [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester; Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR,4S,4aR,7aR,8R,9aR)-; [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate; [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate; (5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) acetate; Acetylhelenalin (Angustibalin); 6-O-acetylhelenalin; Helenalin 6-acetate; Helenalin acetate; HELANIN ACETATE; Angustibalin; 4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate; Angustibalin

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:2723
KEGG: C09293
PubChem: 442142
PubChem: 98952
Metlin: METLIN67579
ChEMBL: CHEMBL486196
MeSH: angustibalin
ChemIDplus: 0010180866
KNApSAcK: C00003211
CAS: 10180-86-6
medchemexpress: HY-114519
PMhub: MS000020597
PubChem: 11484
3DMET: B02837
NIKKAJI: J499.775A
RefMet: Angustibalin
KNApSAcK: 2723
LOTUS: LTS0190583

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)

16 个相关的物种来源信息

4246 - Arnica: LTS0190583
149410 - Arnica longifolia: 10.1055/S-2006-957537
149410 - Arnica longifolia: LTS0190583
436207 - Arnica montana: 10.1055/S-2004-815495
436207 - Arnica montana: 10.1055/S-2007-969856
436207 - Arnica montana: LTS0190583
4210 - Asteraceae: LTS0190583
128714 - Balduina uniflora: 10.1002/JPS.2600610431
2759 - Eukaryota: LTS0190583
2741193 - Helenium radiatum:
1805964 - Inula hupehensis:
3398 - Magnoliopsida: LTS0190583
119176 - Pentanema britannicum: 10.1055/S-0030-1250345
35493 - Streptophyta: LTS0190583
58023 - Tracheophyta: LTS0190583
33090 - Viridiplantae: LTS0190583

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

S Husted, T Hjort. Sperm antibodies in serum and seminal plasma. International journal of fertility. 1975; 20(2):97-105. doi: NULL. [PMID: 3485]