Dataset

6-O-Desmethyl-mycophenolic acid

This MassBank record with Accession MSBNK-Eawag-EQ01154708 contains the MS2 mass spectrum of 6-O-Desmethyl-mycophenolic acid with the InChIkey MHSRNZSBNXFMLF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)
SMILES CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC(=O)O)O
InChI Key MHSRNZSBNXFMLF-UHFFFAOYSA-N
Molecular Formula C16H18O6
Exact Mass 306.110 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-Eawag-EQ01154708
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:06:28.105043
MetadataModified 2025-02-09T10:06:28.262217
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
57369640 PubChem
PD119500 ProbesDrugs
HMDB0060788 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.