| Number |
mr1159 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
8.54 |
| Precursor ions(Q1) |
195.1 |
| Product ions(Q3) |
145.0 |
| Main fragments |
145.0, 177.1, 149.1, 117.0 |
| Compound |
Ferulic acid |
| Identification |
standard |
| class |
Ployphenol |
| Organism |
|
| Reference |
|
| CV(%) |
111.25 |
| H2 |
0.35 |
| ChEBI_ID |
CHEBI:17620 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000565;; |
| CAS Registry Numbers |
537-98-4;;1135-24-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
ferulic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring.;; |
| DrugBank Database Links |
|
| Formulae |
C10H10O4;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;; |
| InChI |
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+;; |
| InChIKey |
KSEBMYQBYZTDHS-HWKANZROSA-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 |
|
| Last Modified |
21 Jun 2016;; |
| Mass |
194.18400;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007132190;;WO2007109804;;WO2007109600;;WO2007106049;;WO2007103687;;WO2007098022;;US2008233242;;US2008131382;;US2007298475;;US2007292540;;US2007270497;;US2007259059;;US2007248700;;US2007248694;;US2007225360;;US2007207222;;US2007189966;;US2007184114;;US2 |
| PubChem Database Links |
8145504;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9878519;;8821508;;4234060;;24023812;;20879744;;19812218;;19594750;;19573517;;18795822;;18707110;;18651237;;18582080;;17127365;;16185284;;16011737;;15507329;;15453708;;15374625;;15309457;;15309442;;15162367;;15080655;;14709852;;1398220;;12529986;;11982438; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
7119;;6780;;2167;;13553;;13552;;12042;; |
| SMILES |
COc1cc(\C=C\C(O)=O)ccc1O;; |
| Secondary ChEBI ID |
CHEBI:24030;;CHEBI:14260;;CHEBI:5046;;CHEBI:42445;;CHEBI:29100;; |
| Star |
3;; |
| Synonyms |
trans-Ferulic acid;;trans-Ferulate;;trans-4-Hydroxy-3-methoxycinnamic acid;;trans-4-Hydroxy-3-methoxycinnamate;;Ferulate;;4-Hydroxy-3-methoxycinnamate;;3-(4-Hydroxy-3-methoxyphenyl)propenoic acid;;3-(4-Hydroxy-3-methoxyphenyl)propenoate;;(E)-Ferulic acid; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZTT5;;Q9Y871;;Q9XGW0;;Q9XGV9;;Q9XGD6;;Q9XGD5;;Q9SWC2;;Q9SWB8;;Q9SLP8;;Q9P979;;Q9LVR1;;Q9LU36;;Q9LHN8;;Q9I6C8;;Q9HGR3;;Q9HE18;;Q9FQY8;;Q9FK25;;Q9C9W3;;Q9C899;;Q9C5D7;;Q9A777;;Q94CD1;;Q8WZI8;;Q8W013;;Q8VWZ7;;Q8LL87;;Q8H9B6;;Q8GU25;;Q6T1F5;;Q66PF4;;Q5XF20; |
| ChEBI Image |
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