Dataset
Glucolesquerellin
Chemical Info
InChI | InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1 |
---|---|
SMILES | CSCCCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
InChI Key | ZAKICGFSIJSCSF-LPUQOGTASA-N |
Molecular Formula | C14H27NO9S3 |
Exact Mass | 449.085 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2012-SMI00033 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:41:49.541775 |
MetadataModified | 2024-01-11T12:41:49.704666 |
MetadataPublished | 2012-08-31 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |