Dataset

Verrucarin J

This MassBank record with Accession MSBNK-AAFC-AC000263 contains the MS2 mass spectrum of Verrucarin J with the InChIkey GXCGYHWSYNQVHU-UGAPSZEOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5+,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1
SMILES CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\C
InChI Key GXCGYHWSYNQVHU-UGAPSZEOSA-N
Molecular Formula C27H32O8
Exact Mass 484.210 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-AC000263
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:36.178605
MetadataModified 2024-01-11T09:21:36.368883
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6437363 PubChem
70037985 NMRShiftDB
The data in this table is sourced from UniChem at EBI.