Mrv0541 05061307392D 61 69 0 0 0 0 999 V2000 3.1087 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2267 0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0489 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8733 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4024 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5049 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3432 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0358 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9468 -0.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8877 -4.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7405 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6967 -4.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 -2.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3892 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2412 -4.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9766 -3.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0940 -2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8294 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1093 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1676 -3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0204 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9017 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -0.4165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -6.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3871 -3.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3156 2.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9613 -5.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -3.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9337 1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0502 -4.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4628 0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5211 -2.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3003 0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7559 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 -3.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4760 -1.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9030 -2.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3739 -0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 12 10 1 0 0 0 0 13 11 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 2 1 0 0 0 0 21 3 1 0 0 0 0 22 7 2 0 0 0 0 22 14 1 0 0 0 0 23 10 1 0 0 0 0 23 14 1 0 0 0 0 24 8 1 0 0 0 0 25 11 1 0 0 0 0 25 24 1 0 0 0 0 26 15 1 0 0 0 0 26 24 1 0 0 0 0 27 9 1 0 0 0 0 27 20 1 0 0 0 0 28 15 1 0 0 0 0 29 17 1 0 0 0 0 30 18 1 0 0 0 0 31 20 1 0 0 0 0 31 28 1 0 0 0 0 32 21 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 34 1 0 0 0 0 40 39 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 44 4 1 0 0 0 0 44 12 1 0 0 0 0 44 22 1 0 0 0 0 44 25 1 0 0 0 0 45 5 1 0 0 0 0 45 13 1 0 0 0 0 45 26 1 0 0 0 0 45 31 1 0 0 0 0 46 16 1 0 0 0 0 46 27 1 0 0 0 0 46 28 1 0 0 0 0 47 17 1 0 0 0 0 48 18 1 0 0 0 0 49 32 1 0 0 0 0 50 33 1 0 0 0 0 51 34 1 0 0 0 0 52 35 1 0 0 0 0 53 36 1 0 0 0 0 54 37 1 0 0 0 0 55 38 1 0 0 0 0 56 21 1 0 0 0 0 56 41 1 0 0 0 0 57 23 1 0 0 0 0 57 43 1 0 0 0 0 58 29 1 0 0 0 0 58 42 1 0 0 0 0 59 30 1 0 0 0 0 59 43 1 0 0 0 0 60 39 1 0 0 0 0 60 42 1 0 0 0 0 61 40 1 0 0 0 0 61 41 1 0 0 0 0 M END > FDB012500 > foodb > CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O > 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 > ZGVSETXHNHBTRK-UHFFFAOYSA-N > C45H73NO15 > 868.0588 > 867.498020671 > 16 > 96.6846074204831 > 0 > 9 > 0 > 0 > 2-{[3-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.29 > -0.4348012784009515 > -3.15 > 1 > 9 > 1 > 12.568179792882962 > 12.220431599446615 > 11.784741339747352 > 240.68999999999994 > 216.55360000000005 > 8 > 0 > 6.19e-01 g/l > α-solanine > 0 > FDB012500 > alpha-Solanine $$$$