9-(Methylthio)nonyl glucosinolate; S,S-Dioxide
AlkaPlorer ID: AK306362
Synonym: 9-(Methylsulfonyl)nonyl glucosinolate
IUPAC Name: None
Structure
SMILES: CS(=O)(=O)CCCCCCCCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C17H33NO11S3/c1-31(23,24)10-8-6-4-2-3-5-7-9-13(18-29-32(25,26)27)30-17-16(22)15(21)14(20)12(11-19)28-17/h12,14-17,19-22H,2-11H2,1H3,(H,25,26,27)/b18-13+
InChIKey: RVWLTFGJPNHVOT-QGOAFFKASA-N
Reference
CAS: 192580-85-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arabidopsis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sinapis arvensis | Sinapis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.6480000000001
TPSA？: 200.25
MolLogP？: -0.1821999999999983
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|