progoitrin
Molecular Formula:
C11H18NO10S2-
InChI: InChI=1/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/t5-,6+,8+,9-,10+,11-/m0/s1/fC11H18NO10S2/q-1
InChIKey: InChIKey=MYHSVHWQEVDFQT-ASEZLZOFDX
SMILES: OC[C@H]1O[C@@H](SC(C[C@@H](O)C=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
CAS number 585-95-5
Names:
C08425
Progoitrin
progoitrin
(R)-2-hydroxybut-3-enylglucosinolate
(R)-2-hydroxy-3-butenylglucosinolate
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-2-[C-[(2R)-2-hydroxybut-3-enyl]-N-sulfonatooxy-carbonimidoyl]sulfanyl-6-(hydroxymethyl)oxane
585-95-5
Registries:
PubChem CID 656566
Beilstein =6133031
CAS 585-95-5 (from NIST)
ChEBI 8454
Kegg C08425
PubChem ID 10620
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