| Number |
qtl-m1758 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
390.2 |
| Product ions(Q3) |
165.1 |
| Main fragments |
|
| Compound |
Syringin |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:9380 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
97166;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
138-87-4;;118-34-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
syringin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.;; |
| DrugBank Database Links |
|
| Formulae |
C17H24O9;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside;; |
| InChI |
InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1;; |
| InChIKey |
QJVXKWHHAMZTBY-GCPOEHJPSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C17517C01533 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
16 Jul 2015;; |
| Mass |
372.36706;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
24398053;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
23678812;;23666001;;23620140;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
3388;;3387;; |
| SMILES |
COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
beta-Terpineol;;Syringoside;;Syringin;;Syringenin;;Syrigin;;Methoxyconiferine;;MAGNOLENIN A;;Lilacin;;Ligustrin;;Eleutheroside B;;(2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol;;(2R,3S,4S,5R, |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZT64;;O80690;;O80689;; |
| ChEBI Image |
 |
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