Dataset

Bayogenin base + O-HexA

This MassBank record with Accession MSBNK-RIKEN-PR308905 contains the MS2 mass spectrum of Bayogenin base + O-HexA with the InChIkey GMMCESHTNIUAQD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C38H60O11/c1-20(40)47-18-24-27(42)28(43)29(44)31(48-24)49-30-23(41)17-34(4)25(35(30,5)19-39)10-11-37(7)26(34)9-8-21-22-16-33(2,3)12-14-38(22,32(45)46)15-13-36(21,37)6/h8,22-31,39,41-44H,9-19H2,1-7H3,(H,45,46)
SMILES CC(=O)OCC1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)CO)C(O)C(O)C1O
InChI Key GMMCESHTNIUAQD-UHFFFAOYSA-N
Molecular Formula C38H60O11
Exact Mass 692.887 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308905
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:42:04.148476
MetadataModified 2025-02-09T18:29:18.672403
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139291862 PubChem
The data in this table is sourced from UniChem at EBI.