-ISIS- 05031710462D 52 54 0 0 0 0 0 0 0 0999 V2000 5.2208 -6.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2208 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7958 -7.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7958 -6.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0083 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -6.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5833 -6.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -5.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3667 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -6.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7292 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -6.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -6.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0750 -6.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0750 -7.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6500 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -5.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -3.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 -4.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5083 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0458 -5.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -6.9208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2875 -8.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.2875 -9.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1917 -8.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -8.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -6.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -8.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -6.0250 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.2583 -10.4875 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 6 0 0 0 5 19 1 1 0 0 0 1 20 1 1 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 6 0 0 0 24 28 1 1 0 0 0 22 29 1 1 0 0 0 23 30 1 6 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 30 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 28 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 42 45 2 0 0 0 0 10 46 1 1 0 0 0 4 47 1 1 0 0 0 3 48 1 6 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 M CHG 4 41 -1 43 -1 51 1 52 1 M END > CFN98561 > Atractyloside potassium salt > 102130-43-8 > 98% > C30H44K2O16S2 > 802.99 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Atractyloside-potassium-salt-CFN98561.html $$$$