RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0126124 | |
---|---|---|
RefMet name | Sarmentoloside | |
Systematic name | Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside) | |
Synonyms | PubChem Synonyms | |
Exact mass | 568.288362 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C29H44O11 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 68980 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)2 6(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1 | |
InChIKey | BUGNRCRUPAIYMD-VBVNMADNSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]1CC[C@]2(CO)[C@@H]3[C@@H](CC[C@@]2(C1)O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@@]1(C)C[C@H]3O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Sterol Lipids | |
Main Class | Sterols | |
Sub Class | Cardanolides | |
Distribution of Sarmentoloside in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting Sarmentoloside | |
External Links | ||
Pubchem CID | 441869 | |
ChEBI ID | 9032 | |
KEGG ID | C08878 | |
EPA CompTox | DTXCID00964158 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |