Feretoside (BioDeep_00000000428)

natural product PANOMIX_OTCML-2023

代谢物信息卡片

(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester

化学式: C17H24O11 (404.13185539999995)
中文名称: 6-β-羟基栀子苷, 鸡矢藤次苷甲酯
谱图信息: 最多检出来源 Viridiplantae(plant) 22.32%

分子结构信息

SMILES: COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
InChI: InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

描述信息

Scandoside methyl ester is a terpene glycoside.
Scandoside methyl ester is a natural product found in Feretia apodanthera, Gardenia jasminoides, and other organisms with data available.

同义名列表

13 个代谢物同义名

methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4aalpha,5,7aalpha-tetrahydro-5beta-hydroxy-7-(hydroxymethyl)-, hexaacetate; Methyl 1-(hexopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate; Scandioside methyl ester; 6beta-hydroxygeniposide; Scandoside methyl ester; Feretoside; (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,5R,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; 27530-67-2; C09798

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:9046
KEGG: C09798
PubChem: 442433
Metlin: METLIN67942
ChEMBL: CHEMBL516850
ChemIDplus: 0027530672
KNApSAcK: C00003097
chemspider: 390873
CAS: 27530-67-2
MoNA: PM014704
medchemexpress: HY-N6249
PMhub: MS000010783
PubChem: 11986
3DMET: B03295
NIKKAJI: J17.095J

分类词条

环烯醚萜

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)

17 个相关的物种来源信息

55222 - Astroloma humifusum: 10.1016/0031-9422(93)85522-S
1008960 - Feretia apodanthera:
254777 - Galium mollugo: 10.1016/S0031-9422(00)84093-5
114476 - Gardenia jasminoides:
58486 - Genipa americana: 10.1248/CPB.55.632
43536 - Oldenlandia corymbosa: 10.1248/CPB.39.2049
499971 - Oldenlandia herbacea var. herbacea: 10.1002/HLCA.201000129
60087 - Paederia foetida: 10.1248/CPB.52.1356
284589 - Paederia scandens: 10.1248/CPB.52.1356
184576 - Rhododendron latoucheae: 10.1016/S0367-326X(00)00316-6
2676109 - Ridsdalea wittii: 10.3987/COM-02-9622
203073 - Rosenbergiodendron formosum: 10.1021/NP50024A004
1623652 - Singaporandia macrophylla: 10.1021/NP000524C
2662167 - Stigmaphyllon palmatum: 10.1055/S-2007-969406
33090 - 栀子: -
33090 - 白花蛇舌草: -
33090 - 鸡屎藤: -

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。