Mrv0541 12091316132D 67 75 0 0 1 0 999 V2000 13.5086 -16.0467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5086 -15.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -16.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -14.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9351 -15.2238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9316 -16.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6455 -16.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3547 -16.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6527 -14.8153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3547 -15.2317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3725 -13.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6594 -13.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0830 -14.0105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0776 -14.8345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8590 -15.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8677 -13.7585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3454 -14.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3531 -13.0912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1359 -13.3491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1305 -14.1782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8452 -14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5613 -14.1835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5667 -13.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8561 -12.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9277 -14.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6457 -15.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3469 -14.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0732 -15.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0774 -13.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5393 -14.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9289 -15.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1355 -12.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1306 -12.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2719 -14.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 -16.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -16.0489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3656 -16.4624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0782 -15.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 -16.0508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3633 -14.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6494 -15.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3621 -13.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0763 -13.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9341 -14.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9361 -16.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3656 -17.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0804 -17.7001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0804 -18.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7952 -17.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7952 -18.9381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5099 -17.7001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5099 -18.5254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3656 -18.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7952 -19.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2248 -18.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2247 -17.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2214 -16.0507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5066 -16.4634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2214 -15.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 -16.0507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5066 -14.8127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7919 -15.2254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5066 -17.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 -16.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 -14.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5066 -13.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 -13.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 10 1 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 13 11 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 16 13 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 19 18 1 0 0 0 0 18 16 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 5 25 1 1 0 0 0 9 26 1 6 0 0 0 10 27 1 1 0 0 0 14 28 1 6 0 0 0 13 29 1 1 0 0 0 16 30 1 6 0 0 0 17 31 1 6 0 0 0 18 32 1 6 0 0 0 19 33 1 6 0 0 0 22 34 1 6 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 1 35 1 1 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 36 35 1 1 0 0 0 40 42 1 1 0 0 0 42 43 1 0 0 0 0 41 44 1 1 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 52 1 0 0 0 0 48 53 1 1 0 0 0 50 54 1 1 0 0 0 52 55 1 6 0 0 0 51 56 1 1 0 0 0 47 46 1 6 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 62 1 0 0 0 0 58 63 1 6 0 0 0 60 64 1 1 0 0 0 62 65 1 6 0 0 0 61 66 1 1 0 0 0 67 66 1 0 0 0 0 57 45 1 1 0 0 0 37 46 1 6 0 0 0 39 45 1 1 0 0 0 M END > CHEBI:9188 > solanine > A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22β)-solanid-5-en-3β-ol]. > 3 > Solanine; alpha-solanine; alpha-Solanin > solanid-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside > C45H73NO15 > 868.05880 > 867.49802 > 0 > C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1 > ZGVSETXHNHBTRK-UDJLNJFBSA-N > 77607 > 20562-02-1 > 77607 > 20562-02-1 > C10820 > C00002262 > LSM-3583 > CPD-9211 > Solanine > 18022776; 21485553; 23411230; 23454444; 23473422; 23494897; 23790833; 23954587; 24051269 $$$$