| Number |
qtl-m1481 |
| 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) |
315.2 |
| Product ions(Q3) |
271.2 |
| Main fragments |
|
| Compound |
Momilactone A |
| Identification |
standard |
| class |
Terpene |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:49191 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1689564;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
51415-07-7;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
momilactone A;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C20H26O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione;; |
| InChI |
InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1;; |
| InChIKey |
MPHXYQVSOFGNEN-JGHPTVLTSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.1.1.295;; |
| KEGG COMPOUND Database Links |
C18015 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
314.41864;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
49742791;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:25367;;RHEA:25363;; |
| SABIO-RK Database Links |
|
| SMILES |
[H][C@@]12OC(=O)[C@@]3(C)C(=O)CC[C@](C)([C@]4([H])CC[C@](C)(CC4=C1)C=C)[C@@]23[H];; |
| Secondary ChEBI ID |
CHEBI:58789;; |
| Star |
3;; |
| Synonyms |
momilactone A;;Momilacton A;;3-oxo-9beta-pimara-7,15-dien-19,6beta-olide;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q7FAE1;; |
| ChEBI Image |
 |
| |
|
