CDK 1030232201 35 38 0 0 0 0 0 0 0 0999 V2000 4.2696 0.1913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.8205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2704 -2.1730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7144 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 11 10 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 12 15 1 0 0 0 0 16 13 1 0 0 0 0 16 17 1 6 0 0 0 18 17 1 1 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 19 21 1 1 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 6 0 0 0 26 22 1 0 0 0 0 26 27 1 6 0 0 0 28 27 1 1 0 0 0 29 28 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 6 0 0 0 30 33 1 0 0 0 0 34 31 1 0 0 0 0 34 35 1 6 0 0 0 5 6 1 0 0 0 0 15 16 1 0 0 0 0 24 26 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:210803 > Phallusialide E > 2 > [(2R,3S,6S)-6-[(2S,3R,4R,6R)-4-amino-6-[(2R,3S,6R)-6-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 4-chloro-1H-pyrrole-2-carboxylate > C24H37ClN2O8 > 517.020 > 516.22384 > 0 > ClC1=CNC(=C1)C(=O)O[C@@H]2[C@H](O[C@@H](O[C@@H]3[C@](N)(C[C@@H](O[C@@H]4[C@H](O[C@@H](O)CC4)C)O[C@H]3C)C)CC2)C > InChI=1S/C24H37ClN2O8/c1-12-17(5-7-19(28)30-12)33-21-10-24(4,26)22(14(3)32-21)35-20-8-6-18(13(2)31-20)34-23(29)16-9-15(25)11-27-16/h9,11-14,17-22,27-28H,5-8,10,26H2,1-4H3/t12-,13-,14+,17+,18+,19-,20+,21-,22+,24-/m1/s1 > HVYWTUZRQUODLW-GMKIRKNXSA-N $$$$