({[1-(benzoyloxy)butan-2-yl]imino}({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl})methoxy)sulfonic acid
AlkaPlorer ID: AK446135
Synonym: None
IUPAC Name: 2-[[sulfooxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethylidene]amino]butyl benzoate
Structure
SMILES: CCC(COC(=O)C1=CC=CC=C1)N=C(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C18H25NO11S2/c1-2-11(9-28-16(24)10-6-4-3-5-7-10)19-18(30-32(25,26)27)31-17-15(23)14(22)13(21)12(8-20)29-17/h3-7,11-15,17,20-23H,2,8-9H2,1H3,(H,25,26,27)
InChIKey: LMJXQCDDKGVESI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 495.5280000000002
TPSA？: 192.41
MolLogP？: -0.6694999999999995
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|