gluconapin
Molecular Formula:
C11H18NO9S2-
InChI: InChI=1/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/t6-,8-,9+,10-,11+/m1/s1/fC11H18NO9S2/q-1
InChIKey: InChIKey=PLYQBXHVYUJNQB-HJOQGFDGDV
SMILES: OC[C@H]1O[C@@H](SC(CCC=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
CAS number 19041-09-9
Names:
but-3-enylglucosinolate
C08415
Gluconapin
gluconapin
(2S,3R,4S,5S,6R)-2-(C-but-3-enyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane
19041-09-9
3-butenylglucosinolate
Registries:
PubChem CID 656550
CAS 19041-09-9 (from NIST)
ChEBI 5411
Kegg C08415
PubChem ID 10611
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