Dataset

Mycophenolic acid

This MassBank record with Accession MSBNK-AAFC-AC000681 contains the MS2 mass spectrum of Mycophenolic acid with the InChIkey HPNSFSBZBAHARI-RUDMXATFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
SMILES CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC
InChI Key HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula C17H20O6
Exact Mass 320.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000681
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:06.290493
MetadataModified 2024-01-11T09:23:06.428954
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MYCOPHENOLATE SODIUM rxnorm
MYFORTIC rxnorm
ERL 080 clinicaltrials
ERL-080 clinicaltrials
MYCOPHENOLATE SODIUM clinicaltrials
MYCOPHENOLIC ACID clinicaltrials
MYFORTIC clinicaltrials
HY-B0421 MedChemExpress
MCULE-1991681277 Mcule
LSM-42933 LINCS
DTXSID4041070 EPA CompTox Dashboard
1860 DrugCentral
ZINC000000001758 ZINC
J2.768E Nikkaji
6832 Guide to Pharmacology
J49.437B Nikkaji
MYCPHA CCDC
19264 BindingDB
MYCOPHENOLIC ACID DailyMed
MYCOPHENOLATE rxnorm
MYCOPHENOLIC ACID rxnorm
CHEMBL866 ChEMBL
168396 ChEBI
MOA PDBe
DB01024 DrugBank
SCHEMBL4549 SureChEMBL
24280-93-1 ACToR
483-60-3 ACToR
PD001641 ProbesDrugs
HU9DX48N0T FDA SRS
14850485 PubChem: Thomson Pharma
70011881 NMRShiftDB
Mycophenolic-acid(Mycophenolate) Selleck
570 Brenda
6557 Brenda
HMDB0015159 Human Metabolome Database
216043 Brenda
mycophenolic acid DailyMed
CB8311003 ChemicalBook
CB4507365 ChemicalBook
PA164748728 PharmGKB
MTBLC168396 Metabolights
18595868 eMolecules
446541 PubChem
The data in this table is sourced from UniChem at EBI.