| Number |
qtl-m1658 |
| 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) |
354.1 |
| Product ions(Q3) |
188.1 |
| Main fragments |
|
| Compound |
Protopine |
| Identification |
|
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16415 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
130-86-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
protopine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A dibenzazecine alkaloid isolated from Fumaria vaillantii.;; |
| DrugBank Database Links |
|
| Formulae |
C20H19NO5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one;; |
| InChI |
InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3;; |
| InChIKey |
GPTFURBXHJWNHR-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.14.13.55;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
353.36860;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2006032380;;US2006154947;;US2005037401;; |
| PubChem Database Links |
8143571;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
22029392;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:22644;; |
| SABIO-RK Database Links |
|
| SMILES |
CN1CCc2cc3OCOc3cc2C(=O)Cc2ccc3OCOc3c2C1;; |
| Secondary ChEBI ID |
CHEBI:26356;;CHEBI:14958;;CHEBI:8591;; |
| Star |
3;; |
| Synonyms |
protopine;;Macleyine;;Fumarine;;Corydinine;;Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one,4,6,7,14-tetrahydro-5-methyl-;;Biflorine;;7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one;;7,13a-Secoberbin-13a-one, 7-methyl |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q108P1;; |
| ChEBI Image |
 |
| |
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