47 48 0 0 0 0 0 0 0 0999 V2000 6.9731 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 -9.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1409 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3356 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5302 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7248 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9195 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1141 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3087 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5034 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6520 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8467 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0413 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2359 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4306 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6252 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 -11.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7517 -11.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 -12.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1409 -11.7617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 -13.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 -8.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8657 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.0603 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2550 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4496 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6442 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7929 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9875 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.1822 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0603 -8.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2550 -11.7617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.4228 -10.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.1822 -8.3157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 -12.4509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 -11.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -11.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -9.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -10.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -11.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -12.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -8.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 3 21 2 0 0 0 5 22 1 6 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 6 26 2 0 0 0 20 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 28 35 2 0 0 0 29 36 1 6 0 0 34 37 1 0 0 0 34 38 2 0 0 0 39 40 1 0 0 0 40 1 2 0 0 0 1 41 1 0 0 0 41 42 1 0 0 0 39 42 1 0 0 0 41 43 2 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 42 46 2 0 0 0 43 47 1 0 0 0 M END > CHEBI:34542 > Argiotoxin 659 > 2 > Argiotoxin 659; Argiopinin III > C31H53N11O5 > 659.824 > 659.42311 > 0 > N[C@@H](CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 > InChI=1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1 > ONYMEUPDKAAGRV-UPVQGACJSA-N > 111944-83-3 > C13929 $$$$