Dataset

Curcumine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81006 contains the MS mass spectrum of Curcumine with the InChIkey VFLDPWHFBUODDF-FCXRPNKRSA-N.

Chemical Info

InChI	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES	COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
InChI Key	VFLDPWHFBUODDF-FCXRPNKRSA-N
Molecular Formula	C21H20O6
Exact Mass	368.126 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81006
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:44.405107
MetadataModified	2024-01-11T22:28:44.595600
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
494487	eMolecules
12013839	PubChem: Drugs of the Future
CHEMBL140	ChEMBL
3962	ChEBI
15845-47-3	ACToR
8024-37-1	ACToR
458-37-7	ACToR
IT942ZTH98	FDA SRS
969516	PubChem
14803853	PubChem: Thomson Pharma
PD011359	ProbesDrugs
60024219	NMRShiftDB
7000	Guide to Pharmacology
J5.762B	Nikkaji
QUMDIN	CCDC
SCHEMBL8440	SureChEMBL
J1.391.353F	Nikkaji
LSM-43083	LINCS
ZINC000000899824	ZINC
DTXSID8031077	EPA CompTox Dashboard
50140172	BindingDB
226236	Brenda
14060	Brenda
CB3167375	ChemicalBook
CC9	PDBe
CB4183426	ChemicalBook
DB11672	DrugBank
696	Brenda
3962	Rhea
MTBLC3962	Metabolights
HMDB0002269	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.