| Number |
mr1125 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
374.1082 |
| Exact mass(Da) |
374.1082 |
| Accurate mass error(ppm) |
0.07 |
| Molecular formula |
C15H19NO10 |
| Ionization model |
|
| Ret. Time(min) |
5.25 |
| Precursor ions(Q1) |
374.1082 |
| Product ions(Q3) |
198.2 |
| Main fragments |
198.2, 124.0, 180.2, 77.9 |
| Compound |
DIMBOA glucoside |
| Identification |
putative |
| class |
Others |
| Organism |
Zea mays |
| Reference |
Harborne et. al (1999) |
| CV(%) |
99.52 |
| H2 |
0.75 |
| ChEBI_ID |
CHEBI:37573 |
| 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 |
(2R)-DIMBOA glucoside;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C15H19NO10;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2R)-4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside;; |
| InChI |
InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1;; |
| InChIKey |
WTGXAWKVZMQEDA-XFWGRBSCSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.2.1.182;;EC 2.4.1.202;;EC 2.1.1.241;; |
| KEGG COMPOUND Database Links |
C15768 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
373.31210;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
17487240;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
RHEA:33975;;RHEA:32099;;RHEA:15541;; |
| SABIO-RK Database Links |
9155;;14102;;13112;;13111;; |
| SMILES |
COc1ccc2N(O)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Oc2c1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
DIMBOA glucoside;;DIMBOA beta-D-glucoside;;(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9FYS3;;Q8W2B7;;Q41761;;Q1XIR9;;Q1XH05;;Q1XH04;;P49235;;D5MTF8;;B4G072;;B1P123;; |
| ChEBI Image |
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