| Number |
mr1373 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
284.0989 |
| Exact mass(Da) |
284.0917 |
| Accurate mass error(ppm) |
0.16 |
| Molecular formula |
C10H13N5O5 |
| Ionization model |
|
| Ret. Time(min) |
1.64 |
| Precursor ions(Q1) |
284.0989 |
| Product ions(Q3) |
152.1 |
| Main fragments |
152.1, 238.2, 181.1, 135.1, 110.1 |
| Compound |
Crotonoside |
| Identification |
putative |
| class |
Nucleic acid derivative |
| Organism |
Croton tiglium |
| Reference |
Harborne et. al (1999) |
| CV(%) |
160.97 |
| H2 |
0.25 |
| ChEBI_ID |
CHEBI:3927 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
1818-71-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Crotonoside;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C10H13N5O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1;; |
| InChIKey |
MIKUYHXYGGJMLM-UUOKFMHZSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C08432 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
|
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223439392;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Isoguanosine;;Crotonoside;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
