LMST01150000 Accord 08271317182D 32 37 0 0 0 0 0 0 0 0999 V2000 5.7198 6.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4394 5.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 5.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 6.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4394 6.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 8.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5988 7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5988 6.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0384 6.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0384 7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 8.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5988 8.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4394 7.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 7.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5988 6.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 8.1565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 8.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8382 9.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7505 8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4746 7.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1832 8.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1832 8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4746 9.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7505 9.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7614 7.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 8 20 1 1 0 0 0 9 21 1 6 0 0 0 14 22 1 6 0 0 0 16 23 1 1 0 0 0 17 24 1 1 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 23 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 26 1 0 0 0 0 26 31 1 6 0 0 0 28 32 1 6 0 0 0 M END > LMST01150000 > Solanidane skeleton > > > - > Sterol Lipids [ST] > Sterols [ST01] > Solanidines and alkaloid derivatives [ST0115] > - > > BWBOFECLRQWOIP-VNUKWZOGSA-N > InChI=1S/C27H45N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h17-25H,5-16H2,1-4H3/t17-,18+,19?,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CCC2CCC1)C > - > - > - > - > - > - > 164667 > - > - > - > - > - > - > - $$$$