Molecule

(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

Chemical Information

17 Related Dataset(s) ⌄

rosmarinic acid.aptjmod

rosmarinic acid.cosy

rosmarinic acid.hmbc

rosmarinic acid.hsqc

rosmarinic acid.noesy

Rosmarinic acid; LC-ESI-QQ; MS2

Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol6539
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
537-15-5	ACToR
20283-92-5	ACToR
14803405	PubChem: Thomson Pharma
PD020694	ProbesDrugs
DB16865	DrugBank
ROA	PDBe
5281792	PubChem
16087682	PubChem: Thomson Pharma
MQE6XG29YI	FDA SRS
25692171	eMolecules
801283	eMolecules
45884	Brenda
HMDB0003572	Human Metabolome Database
DTXSID20896987	EPA CompTox Dashboard
CB0767565	ChemicalBook
ZINC000000899870	ZINC
MTBLC50371	Metabolights
147139	Brenda
2035	Brenda
SCHEMBL1650675	SureChEMBL
C01850	KEGG Ligand
50371	ChEBI
12012941	PubChem: Drugs of the Future
CHEMBL324842	ChEMBL
J15.542J	Nikkaji
HY-N0529	MedChemExpress
LSM-42907	LINCS
J2.238.222E	Nikkaji
20252986	NMRShiftDB
50133496	BindingDB
MCULE-4098643324	Mcule
The data in this table is sourced from UniChem at EBI.