Mrv0541 08251413542D 54 58 0 0 0 0 999 V2000 2.5344 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8389 -3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0016 -0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 -2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 -2.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -1.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 -0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8322 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 -0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 0.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 0.9933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 1.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 0.6259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -2.7266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 -2.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -1.1839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7664 -0.9472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 -2.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4449 -2.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 0.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 1.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 2.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 0.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -3.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0564 2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -2.0906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 15 1 1 0 0 0 0 16 2 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 18 13 1 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 20 19 1 0 0 0 0 21 9 2 0 0 0 0 21 19 1 0 0 0 0 22 11 1 0 0 0 0 23 12 1 0 0 0 0 24 14 1 0 0 0 0 25 10 1 0 0 0 0 26 17 1 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 20 2 0 0 0 0 34 24 1 0 0 0 0 35 4 1 0 0 0 0 35 5 1 0 0 0 0 35 12 1 0 0 0 0 36 16 1 4 0 0 0 36 30 2 0 0 0 0 37 15 1 4 0 0 0 37 31 2 0 0 0 0 38 22 1 4 0 0 0 38 27 2 0 0 0 0 39 23 1 4 0 0 0 39 29 2 0 0 0 0 40 24 1 4 0 0 0 40 32 2 0 0 0 0 41 21 1 0 0 0 0 41 33 1 0 0 0 0 42 26 1 4 0 0 0 42 28 2 0 0 0 0 43 13 1 0 0 0 0 43 25 1 0 0 0 0 43 34 1 0 0 0 0 44 17 1 0 0 0 0 45 18 1 0 0 0 0 46 27 1 0 0 0 0 47 28 1 0 0 0 0 48 29 1 0 0 0 0 49 30 1 0 0 0 0 50 31 1 0 0 0 0 51 32 1 0 0 0 0 52 34 2 0 0 0 0 53 35 1 0 0 0 0 54 14 1 0 0 0 0 54 33 1 0 0 0 0 M END > T3D2469 > t3db > CC(O)C1N=C(O)C(C)N=C(O)C(CC(C)(C)O)N=C(O)C2CC3=C(NC4=CC=CC=C34)SCC(N=C1O)C(=O)N1CC(O)CC1C(O)=NC(C)C(O)=N2 > InChI=1S/C35H48N8O10S/c1-15-27(46)38-22-11-20-19-8-6-7-9-21(19)41-33(20)54-14-24(34(52)43-13-18(45)10-25(43)31(50)37-15)40-32(51)26(17(3)44)42-28(47)16(2)36-30(49)23(39-29(22)48)12-35(4,5)53/h6-9,15-18,22-26,41,44-45,53H,10-14H2,1-5H3,(H,36,49)(H,37,50)(H,38,46)(H,39,48)(H,40,51)(H,42,47) > VVAHMTWEOWYEHQ-UHFFFAOYSA-N > C35H48N8O10S > 772.868 > 772.321410486 > 16 > 102 > 76.35288755446592 > 0 > 10 > 0 > 0 > 18,21,24,26,29,32,35-heptahydroxy-28-(2-hydroxy-2-methylpropyl)-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-15-one > 0.69 > -3.674349703698622 > -3.67 > 0 > 5 > 0 > 2.1570474637248527 > -6.510362196395175 > 14.963813529172828 > 292.33 > 195.85090000000005 > 3 > 0 > 1.64e-01 g/l > 18,21,24,26,29,32,35-heptahydroxy-28-(2-hydroxy-2-methylpropyl)-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-15-one > 0 > T3D2469 > Phalloin > 28227-92-1 > Phalloidin, 7-(4-hydroxy-L-leucine)- (9CI); Phalloine > Organic Compound; Amine; Ether; Amide; Mycotoxin; Phallotoxin; Fungal Toxin; Natural Compound $$$$