Ligustroside (BioDeep_00000020002)

human metabolite PANOMIX_OTCML-2023 Endogenous

代谢物信息卡片

Methyl (2S,4S)-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

化学式: C25H32O12 (524.1893672)
中文名称: 女贞甙
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O
InChI: InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3-/t16-,18+,20+,21-,22+,24-,25-/m0/s1

描述信息

Ligustroside is found in fruits. Ligustroside is found in olives (Olea europaea
Found in olives (Olea europaea)

同义名列表

5 个代谢物同义名

Methyl (2S,4S)-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid; methyl (2S,3Z,4S)-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate; Methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate; Ligustroside; ligstroside

数据库引用编号

8 个数据库交叉引用编号

PubChem: 10392063
PubChem: 72727933
HMDB: HMDB0034751
KNApSAcK: C00010785
foodb: FDB013297
chemspider: 8567505
CAS: 35897-92-8
PMhub: MS000035770

分类词条

Terpene glycosides

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)

23 个相关的物种来源信息

389181 Jasminum grandiflorum: 10.1248/CPB.47.1582
757445 Fraxinus insularis:
38873 Fraxinus excelsior:
2291128 Fraxinus stylosa:
38874 Fraxinus ornus:
56033 Fraxinus chinensis:
38872 Fraxinus americana:
178760 Ligustrum obtusifolium: 10.1248/CPB.49.780
126555 Osmanthus heterophyllus: 10.1007/S11418-009-0315-Y
458695 Ligustrum lucidum: 10.1007/S10600-010-9719-X
34270 Syringa vulgaris: 10.1016/S0031-9422(02)00024-9
389181 Jasminum grandiflorum: 10.1248/CPB.47.1582
757445 Fraxinus insularis:
38873 Fraxinus excelsior:
2291128 Fraxinus stylosa:
38874 Fraxinus ornus:
56033 Fraxinus chinensis:
38872 Fraxinus americana:
178760 Ligustrum obtusifolium: 10.1248/CPB.49.780
126555 Osmanthus heterophyllus: 10.1007/S11418-009-0315-Y
458695 Ligustrum lucidum: 10.1007/S10600-010-9719-X
34270 Syringa vulgaris: 10.1016/S0031-9422(02)00024-9
9606 Homo sapiens: -

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

Rocío García-Villalba, Francisco A Tomás-Barberán, Pascale Fança-Berthon, Marc Roller, Pilar Zafrilla, Nicolas Issaly, María-Teresa García-Conesa. Targeted and Untargeted Metabolomics to Explore the Bioavailability of the Secoiridoids from a Seed/Fruit Extract (Fraxinus angustifolia Vahl) in Human Healthy Volunteers: A Preliminary Study. Molecules (Basel, Switzerland). 2015 Dec; 20(12):22202-19. doi: 10.3390/molecules201219845. [PMID: 26690403]