Dataset

Bostrycin

This MassBank record with Accession MSBNK-AAFC-AC000504 contains the MS2 mass spectrum of Bostrycin with the InChIkey ZQNOLGRKZRDRQO-OAGGEKHMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,18,20-23H,4H2,1-2H3/t14-,15-,16+/m1/s1
SMILES C[C@@]1(CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2[C@H]([C@H]1O)O)O)O)O
InChI Key ZQNOLGRKZRDRQO-OAGGEKHMSA-N
Molecular Formula C16H16O8
Exact Mass 336.084 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-AC000504
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:26:38.881456
MetadataModified 2024-01-11T09:26:39.022099
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
21879-81-2 ACToR
70075927 NMRShiftDB
30839 PubChem
The data in this table is sourced from UniChem at EBI.