Mrv0541 08251413542D 53 57 0 0 0 0 999 V2000 2.6761 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2678 -3.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 2.8408 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 4.8621 -1.7098 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 4.0373 -1.7265 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 1.7611 1.7077 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 6.0134 -2.4391 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 0.8477 1.3788 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 0.8730 2.2756 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 6.8878 -2.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 2.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 1.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 2.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 -3.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -0.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.5356 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 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 16 1 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 9 2 0 0 0 0 20 13 1 0 0 0 0 20 19 1 0 0 0 0 21 10 2 0 0 0 0 21 19 1 0 0 0 0 22 13 1 0 0 0 0 23 14 1 0 0 0 0 24 15 1 0 0 0 0 25 11 1 0 0 0 0 26 18 1 0 0 0 0 27 16 1 0 0 0 0 28 17 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 14 1 0 0 0 0 36 17 1 4 0 0 0 36 30 2 0 0 0 0 37 16 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 12 1 0 0 0 0 43 25 1 0 0 0 0 43 34 1 0 0 0 0 44 18 1 0 0 0 0 45 27 1 0 0 0 0 46 28 1 0 0 0 0 47 29 1 0 0 0 0 48 30 1 0 0 0 0 49 31 1 0 0 0 0 50 32 1 0 0 0 0 51 34 2 0 0 0 0 52 35 1 0 0 0 0 53 15 1 0 0 0 0 53 33 1 0 0 0 0 M END > T3D2468 > 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)N1CCCC1C(O)=NC(C)C(O)=N2 > InChI=1S/C35H48N8O9S/c1-16-27(45)38-22-13-20-19-9-6-7-10-21(19)41-33(20)53-15-24(34(51)43-12-8-11-25(43)31(49)37-16)40-32(50)26(18(3)44)42-28(46)17(2)36-30(48)23(39-29(22)47)14-35(4,5)52/h6-7,9-10,16-18,22-26,41,44,52H,8,11-15H2,1-5H3,(H,36,48)(H,37,49)(H,38,45)(H,39,47)(H,40,50)(H,42,46) > VXROMVCOGJAUJL-UHFFFAOYSA-N > C35H48N8O9S > 756.869 > 756.326495864 > 15 > 101 > 77.82412219279004 > 0 > 9 > 0 > 0 > 21,24,26,29,32,35-hexahydroxy-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 > 1.17 > -2.5514568388910885 > -3.80 > 0 > 5 > 0 > 2.1927340080788986 > -6.511189875682057 > 14.96284177199049 > 272.09999999999997 > 194.53300000000002 > 3 > 0 > 1.19e-01 g/l > 21,24,26,29,32,35-hexahydroxy-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 > T3D2468 > Prophalloin > 67739-84-8 > 4-L-Proline-7-(4-hydroxy-L-leucine)phalloidin > Organic Compound; Amine; Ether; Amide; Mycotoxin; Phallotoxin; Fungal Toxin; Natural Compound $$$$