Mrv0541 08251413542D 56 60 0 0 0 0 999 V2000 2.5505 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6508 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8866 -3.3746 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 1.8115 1.7225 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 0.3655 2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 2.9463 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 6.0171 -2.4160 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 1.0372 2.2746 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 0.4444 3.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 3.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9404 -2.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 -1.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 2.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9491 0.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 1.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 2.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4731 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 -3.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 -1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 1.7838 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 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 5 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 8 1 0 0 0 0 18 11 1 0 0 0 0 19 6 2 0 0 0 0 20 9 1 0 0 0 0 20 19 1 0 0 0 0 21 7 2 0 0 0 0 21 19 1 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 24 12 1 0 0 0 0 25 8 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 10 1 0 0 0 0 35 13 1 0 0 0 0 35 14 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 11 1 0 0 0 0 43 25 1 0 0 0 0 43 34 1 0 0 0 0 44 13 1 0 0 0 0 45 14 1 0 0 0 0 46 17 1 0 0 0 0 47 18 1 0 0 0 0 48 27 1 0 0 0 0 49 28 1 0 0 0 0 50 29 1 0 0 0 0 51 30 1 0 0 0 0 52 31 1 0 0 0 0 53 32 1 0 0 0 0 54 34 2 0 0 0 0 55 35 1 0 0 0 0 56 12 1 0 0 0 0 56 33 1 0 0 0 0 M END > T3D2470 > t3db > CC(O)C1N=C(O)C(C)N=C(O)C(CC(O)(CO)CO)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/C35H48N8O12S/c1-15-27(48)38-22-9-20-19-6-4-5-7-21(19)41-33(20)56-12-24(34(54)43-11-18(47)8-25(43)31(52)37-15)40-32(53)26(17(3)46)42-28(49)16(2)36-30(51)23(39-29(22)50)10-35(55,13-44)14-45/h4-7,15-18,22-26,41,44-47,55H,8-14H2,1-3H3,(H,36,51)(H,37,52)(H,38,48)(H,39,50)(H,40,53)(H,42,49) > SRDQDZSLNAKOIT-UHFFFAOYSA-N > C35H48N8O12S > 804.867 > 804.31123973 > 18 > 104 > 78.08919954417352 > 0 > 12 > 0 > 0 > 28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18,21,24,26,29,32,35-heptahydroxy-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 > -0.14 > -6.040772555336009 > -3.73 > 0 > 5 > 0 > 1.7055259440478663 > -6.582786858337228 > 15.000000007987648 > 332.78999999999996 > 198.93830000000005 > 5 > 0 > 1.51e-01 g/l > 28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18,21,24,26,29,32,35-heptahydroxy-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 > T3D2470 > Phallisin > 19774-69-7 > 28-[2,3-Dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-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-te traene-15,21,24,26,29,32,35-heptone > Organic Compound; Amine; Ether; Amide; Mycotoxin; Phallotoxin; Fungal Toxin; Natural Compound $$$$