Mrv0541 08291400592D 55 62 0 0 1 0 999 V2000 6.2777 3.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6322 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5892 3.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3276 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6872 4.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 -0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0951 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9179 2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6172 3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 3.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 2.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -0.5085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7387 2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 2.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 0.2936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3701 0.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7299 0.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3185 1.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0158 0.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3912 1.2896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7353 1.7188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 -1.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 3.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7545 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0088 1.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -0.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6342 0.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 3.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5192 2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5472 2.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 3.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 0.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 0.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6614 0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2962 -1.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 1.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 2 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 13 12 1 0 0 0 0 19 1 1 0 0 0 0 19 6 1 0 0 0 0 19 16 1 0 0 0 0 20 7 1 0 0 0 0 20 14 2 0 0 0 0 21 8 1 0 0 0 0 22 14 1 0 0 0 0 22 21 2 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 17 1 0 0 0 0 26 11 1 0 0 0 0 27 15 1 0 0 0 0 28 12 1 0 0 0 0 29 20 1 0 0 0 0 30 2 1 0 0 0 0 30 13 1 0 0 0 0 30 23 1 0 0 0 0 31 3 1 6 0 0 0 31 26 1 0 0 0 0 32 15 1 0 0 0 0 32 24 1 0 0 0 0 33 18 1 0 0 0 0 33 25 1 0 0 0 0 33 32 1 0 0 0 0 34 18 1 0 0 0 0 34 24 1 0 0 0 0 34 30 1 0 0 0 0 35 25 1 0 0 0 0 35 27 1 0 0 0 0 35 31 1 0 0 0 0 36 23 1 0 0 0 0 36 28 1 0 0 0 0 37 16 1 0 0 0 0 37 17 1 0 0 0 0 37 26 1 0 0 0 0 27 38 1 1 0 0 0 39 29 2 0 0 0 0 31 40 1 1 0 0 0 32 41 1 6 0 0 0 33 42 1 6 0 0 0 35 43 1 6 0 0 0 36 44 1 6 0 0 0 45 4 1 0 0 0 0 45 21 1 0 0 0 0 46 5 1 0 0 0 0 46 22 1 0 0 0 0 47 28 1 0 0 0 0 47 29 1 0 0 0 0 34 48 1 6 0 0 0 48 36 1 0 0 0 0 49 19 1 0 0 0 0 50 23 1 0 0 0 0 51 24 1 0 0 0 0 52 25 1 0 0 0 0 53 26 1 0 0 0 0 27 54 1 6 0 0 0 55 28 1 0 0 0 0 M END > T3D4061 > t3db > [H]C12CCC3([H])[C@]4(O)C[C@]([H])(O)[C@@]5(O)C([H])(CN6CC([H])(C)CCC6([H])[C@@]5(C)O)[C@]4(O)C[C@@]33O[C@]1(O)C([H])(CCC23C)OC(=O)C1=CC(OC)=C(OC)C=C1 > InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19?,23?,24?,25?,26?,27-,28?,30?,31+,32+,33+,34+,35-,36-/m0/s1 > FVECELJHCSPHKY-UIHGVQCZSA-N > C36H51NO11 > 673.7902 > 673.346211479 > 11 > 99 > 72.27799750901582 > 0 > 6 > 0 > 0 > (1R,10R,11S,12S,14R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 3,4-dimethoxybenzoate > 0.87 > 0.826866178666665 > -2.77 > 0 > 8 > 1 > 12.30698413192166 > 10.87672749969867 > 8.769165929652784 > 178.60999999999996 > 170.51080000000005 > 5 > 0 > 1.16e+00 g/l > (1R,10R,11S,12S,14R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 3,4-dimethoxybenzoate > 0 > T3D4061 > Veratridine > 71-62-5 > (3•_,4alpha-,16•_)-4,12,14,16,17,20-hexahydroxy-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate > Organic Compound; Amine; Ether; Ester; Plant Toxin; Natural Compound $$$$