Austinol (BioDeep_00000020141)

human metabolite Endogenous natural product

代谢物信息卡片

8,12-dihydroxy-2,2,2,6,9,13-hexamethyl-16-methylidene-2,6-dihydro-10,14-dioxaspiro[pyran-3,5-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6-ene-6,11,15-trione

化学式: C25H30O8 (458.1941)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.69%

分子结构信息

SMILES: C=C1C2(C)OC(=O)C3(O)C(C)OC(=O)C13C1(C)CCC3(C=CC(=O)OC3(C)C)C(C)=C1C2O
InChI: InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3

3D Structure

描述信息

Austinol is a metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustu
Metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustus.

同义名列表

14 个代谢物同义名

8,12-dihydroxy-2,2,2,6,9,13-hexamethyl-16-methylidene-2,6-dihydro-10,14-dioxaspiro[pyran-3,5-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6-ene-6,11,15-trione; 8,12-dihydroxy-2,2,2,6,9,13-hexamethyl-16-methylidene-10,14-dioxaspiro[pyran-3,5-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6-ene-6,11,15-trione; 8,12-Dihydroxy-2,6,6,6,9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5-pyran]-2,11,15-trione; Dehydroaustinol; Austinol; (1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione; 3a,7-Dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylidene-3,3a,6,7,11,11a-hexahydro-1H,2'H,4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocine-9,3'-pyran]-1,4,6'-trione; 6Z34580GUZ; AUSTIN, O17-DEACETYL-; DESACETYLAUSTIN; SPIRO(1H-6,11B-METHANO-4H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 3,3A,6,7,11,11A-HEXAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.BETA.,7.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-; Spiro(1H-6,11b-methano-4H-furo(3,4-e)(3)benzoxocin-9(10H),3'(6'H)-(2H)pyran)-1,4,6'-trione, 3,3a,6,7,11,11a-hexahydro-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-, (3S,3'S,3aS,6R,7R,11aS,11bS)-; SPIRO(3AH-6,11B-METHANO-3H-BENZO(E)FURO(3,4-C)OXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 6,7,11,11A-TETRAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3R,3'R,3AR,6S,7S,11AS,11BR)-; UNII-6Z34580GUZ

数据库引用编号

8 个数据库交叉引用编号

PubChem: 73745644
HMDB: HMDB0034464
foodb: FDB012873
CAS: 72040-27-8
PMhub: MS000038626
LOTUS: LTS0008395
PubChem: 3085683
MeSH: austinol

分类词条

代谢反应

个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

22 个相关的物种来源信息

59969 - Aegiceras: LTS0008395
59970 - Aegiceras corniculatum: 10.1016/J.PHYTOCHEM.2011.04.014
59970 - Aegiceras corniculatum: LTS0008395
4890 - Ascomycota: LTS0008395
1131492 - Aspergillaceae: LTS0008395
5052 - Aspergillus: LTS0008395
40382 - Aspergillus ustus: 10.1039/P19820002687
40382 - Aspergillus ustus: LTS0008395
2759 - Eukaryota: LTS0008395
147545 - Eurotiomycetes: LTS0008395
4751 - Fungi: LTS0008395
9606 - Homo sapiens: -
3398 - Magnoliopsida: LTS0008395
5073 - Penicillium: LTS0008395
69488 - Penicillium simplicissimum: 10.1271/BBB.58.334
69488 - Penicillium simplicissimum: 10.1271/BBB.59.246
69488 - Penicillium simplicissimum: LTS0008395
4335 - Primulaceae: LTS0008395
35493 - Streptophyta: LTS0008395
58023 - Tracheophyta: LTS0008395
28568 - Trichocomaceae: LTS0008395
33090 - Viridiplantae: LTS0008395

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