Ketcher 08152213412D 1 1.00000 0.00000 0 20 20 0 0 0 999 V2000 9.5347 -8.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -9.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -9.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -5.7289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 -5.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 -5.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 -8.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 -5.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 -6.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 -4.2289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8027 -5.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 -5.2289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 -7.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 -8.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -6.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1329 -7.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -8.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1329 -8.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -3.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 18 3 1 6 0 0 7 4 1 0 0 0 16 4 1 1 0 0 5 7 1 0 0 0 6 5 1 0 0 0 12 6 1 0 0 0 7 11 2 0 0 0 19 8 1 1 0 0 9 13 1 0 0 0 17 10 1 6 0 0 13 12 1 0 0 0 14 15 1 0 0 0 16 14 1 0 0 0 15 18 1 0 0 0 16 17 1 0 0 0 19 17 1 0 0 0 18 19 1 0 0 0 15 1 1 1 0 0 11 20 1 0 0 0 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SMT 1 n M SAL 1 1 12 M SBL 1 2 7 12 M SDI 1 4 8.2357 -4.7289 8.2357 -6.2289 M SDI 1 4 7.3696 -6.2289 7.3696 -4.7289 M END > CHEBI:192830 > (Z)-omega-(methylsulfanyl)alkyl desulfoglucosinolate > A ω-(methylsulfanyl)alkyl desulfoglucosinolate in which the double bond adopts a Z-configuration. > 3 > (Z)-omega-(methylsulfanyl)alkyl desulfoglucosinolate > alpha-(methylsulfanyl)-omega-[(3Z)-3-(hydroxyimino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}propyl]polymethanediyl > (CH2)n.C10H19NO6S2 > 0 $$$$