| Number |
qtl-m0289 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
333.2053 |
| Exact mass(Da) |
333.206 |
| Accurate mass error(ppm) |
2.22 |
| Molecular formula |
C20H28O4 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
333.3 |
| Product ions(Q3) |
227.3 |
| Main fragments |
227.3, 315.2, 227.3, 199.3, 157.2 |
| Compound |
Gibberellin A12 |
| Identification |
putative |
| class |
Terpene |
| Organism |
|
| Reference |
Nojiri et. al (1993) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:30088 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000422;; |
| CAS Registry Numbers |
1164-45-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
gibberellin A12;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C20H28O4;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid;; |
| InChI |
InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1;; |
| InChIKey |
UJFQJDAESQJXTG-UFUZVNNQSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPR0104170014;; |
| Last Modified |
28 Jul 2014;; |
| Mass |
332.43392;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8145265;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
5904;; |
| SMILES |
[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:14301;;CHEBI:29587;; |
| Star |
3;; |
| Synonyms |
gibberellin 12;;Gibberellin-A-12;;GA12;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9FZ21;;Q9C955;;Q9C6I4;;Q9C5Y2;;Q9AXH9;;Q7XHW5;;Q5KQH7;;Q4PT02;;Q3I411;;Q39112;;Q39111;;Q39110;;Q0DS59;;P93771;;O49561;;O24648;;O23051;;O04707;;O04706;;O04705;;F4JUY5;; |
| ChEBI Image |
 |
| |
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