Dataset

Altenuene

This MassBank record with Accession MSBNK-AAFC-AC000055 contains the MS2 mass spectrum of Altenuene with the InChIkey MMHTXEATDNFMMY-WBIUFABUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1
SMILES C[C@]12C[C@@H]([C@H](C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O)O
InChI Key MMHTXEATDNFMMY-WBIUFABUSA-N
Molecular Formula C15H16O6
Exact Mass 292.095 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-AC000055
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:26:04.469521
MetadataModified 2024-01-11T09:26:04.617615
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL482228 ChEMBL
10190072 eMolecules
DTXSID60891799 EPA CompTox Dashboard
MCULE-5937986428 Mcule
ZINC000004533847 ZINC
80003245 NMRShiftDB
29752-43-0 ACToR
J513.107C Nikkaji
34687 PubChem
The data in this table is sourced from UniChem at EBI.