Dataset

Chaetoviridin A

This MassBank record with Accession MSBNK-AAFC-AC000547 contains the MS2 mass spectrum of Chaetoviridin A with the InChIkey HWSQVPGTQUYLEQ-CCBHEJLASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12-,13+,23-/m0/s1
SMILES CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@@H](C)[C@@H](C)O)C2=CO1)C)Cl
InChI Key HWSQVPGTQUYLEQ-CCBHEJLASA-N
Molecular Formula C23H25ClO6
Exact Mass 432.134 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-AC000547
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:04.756252
MetadataModified 2024-01-11T09:23:04.907762
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60079609 NMRShiftDB
6450533 PubChem
15501790 PubChem: Thomson Pharma
128252-98-2 ACToR
DTXSID80893270 EPA CompTox Dashboard
MTBLC67610 Metabolights
CHEMBL1802150 ChEMBL
J350.902H Nikkaji
67610 ChEBI
The data in this table is sourced from UniChem at EBI.