| Number |
qtl-m1152 |
| 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) |
179 |
| Product ions(Q3) |
147 |
| Main fragments |
|
| Compound |
Coniferyl aldehyde |
| Identification |
putative |
| class |
Ployphenol |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16547 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
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| BioModels Database Links |
|
| CAS Registry Numbers |
458-36-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
coniferyl aldehyde;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.;; |
| DrugBank Database Links |
|
| Formulae |
C10H10O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;; |
| InChI |
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+;; |
| InChIKey |
DKZBBWMURDFHNE-NSCUHMNNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 1.2.1.68;;EC 1.1.1.195;;EC 1.1.1.194;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
16 Jul 2015;; |
| Mass |
178.18460;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8143515;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
24010325;;23725839;;23302528;;22466741;;22034160;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:23968;;RHEA:23964;;RHEA:22444;; |
| SABIO-RK Database Links |
6781;;2499;;2166;;10856;; |
| SMILES |
COc1cc(\C=C\C=O)ccc1O;; |
| Secondary ChEBI ID |
CHEBI:14018;;CHEBI:3859;;CHEBI:23372;; |
| Star |
3;; |
| Synonyms |
(E)-coniferyl aldehyde;;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;;(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenal;;(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal;;(E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9SJ25;;Q9SJ10;;Q9I6C8;;Q9FK25;;Q9A777;;Q6ZHS4;;Q3L181;;Q39173;;Q39172;;Q02972;;Q02971;;P85317;;P48523;;O86447;;O49482;; |
| ChEBI Image |
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