Dataset

Trichoverrol A

This MassBank record with Accession MSBNK-AAFC-AC000249 contains the MS2 mass spectrum of Trichoverrol A with the InChIkey QFKRKMXPKBHGGO-OYWHZMLYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16-,17+,18+,19+,21+,22+,23-/m0/s1
SMILES CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\[C@@H]([C@H](C)O)O)C)CO
InChI Key QFKRKMXPKBHGGO-OYWHZMLYSA-N
Molecular Formula C23H32O7
Exact Mass 420.215 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-AC000249
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:52.983687
MetadataModified 2024-01-11T09:22:53.140343
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J546.786A Nikkaji
70004084 NMRShiftDB
101649339 PubChem
23412OK33Q FDA SRS
ZINC000085562893 ZINC
The data in this table is sourced from UniChem at EBI.