| Number |
qtl-m0282 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
332.1336 |
| Exact mass(Da) |
332.134 |
| Accurate mass error(ppm) |
1.19 |
| Molecular formula |
C14H21NO8 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
332.1 |
| Product ions(Q3) |
314.1 |
| Main fragments |
314.1, 170.2, 152.2, 124.1, 108.1 |
| Compound |
Zinolol |
| Identification |
putative |
| class |
Polyphenol |
| Organism |
|
| Reference |
Ammar et. al (2007) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:66506 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
|
| ChEBI Name |
zinolol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A monosaccharide derivative that is 1,4-dihydroxybenzene substituted by a (methylamino)methyl group at position 6 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from Anagallis monelli, it exhi |
| DrugBank Database Links |
|
| Formulae |
C14H21NO8;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2,5-dihydroxy-3-[(methylamino)methyl]phenyl beta-D-glucopyranoside;; |
| InChI |
InChI=1S/C14H21NO8/c1-15-4-6-2-7(17)3-8(10(6)18)22-14-13(21)12(20)11(19)9(5-16)23-14/h2-3,9,11-21H,4-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1;; |
| InChIKey |
XDRANPRXTFIDRB-RGCYKPLRSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
12 Jul 2013;; |
| Mass |
331.31840;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
|
| PubChem Database Links |
160710069;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
17329877;; |
| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
CNCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
2-(O-beta-D-glucopyranosyl)-6-(N-methylaminomethyl)-1,4-dihydroxybenzene;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
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