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[(Science: chemistry) A glucoside found in the seeds of white mustard (brassica alba, formerly sinapis alba), and extracted as a white crystalline substance. Origin: From L. Sinapis _ alba.
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pre_formula( "InChI=1/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/t9-,11-,12+,13-,14+/m1/s1/fC14H18NO10S2/q-1", "jqp030/656567.html" ); ?>
Molecular Formula:
C14H18NO10S2-
InChI: InChI=1/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/t9-,11-,12+,13-,14+/m1/s1/fC14H18NO10S2/q-1
InChIKey: InChIKey=WWBNBPSEKLOHJU-UIVXNSLJDM
SMILES: C1=CC(=CC=C1CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O)O
Names:
C08426
Sinalbin
(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[C-[(4-hydroxyphenyl)methyl]-N-sulfonatooxy-carbonimidoyl]sulfanyl-oxane
20196-67-2
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Registries:
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PubChem CID 656567
PubChem ID 10621
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