Dataset

Plumericin

This MassBank record with Accession MSBNK-Fiocruz-FIO00794 contains the MS2 mass spectrum of Plumericin with the InChIkey VFXXNAVZODKBIW-JKXVGBJFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1
SMILES COC(=O)C(=C4)[C@@]([H])(C=3)[C@]([H])([C@]([H])(O4)1)[C@](C3)(O2)[C@]([H])(C(=CC)C(=O)2)O1
InChI Key VFXXNAVZODKBIW-JKXVGBJFSA-N
Molecular Formula C15H14O6
Exact Mass 290.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00794
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:10.616248
MetadataModified 2024-01-11T16:35:10.816655
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL4894690 SureChEMBL
L0126U506Z FDA SRS
8274 ChEBI
50480284 BindingDB
5281545 PubChem
77-16-7 ACToR
C09796 KEGG Ligand
CHEMBL517300 ChEMBL
60028116 NMRShiftDB
The data in this table is sourced from UniChem at EBI.