null CDK 0224162149 null 65 68 0 0 0 0 0 0 0 0999 V2000 2.8538 -3.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 -2.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 -2.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 -0.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3678 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -1.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0127 -1.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9006 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7231 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 -4.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9662 -4.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 -6.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6765 -5.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3213 -4.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 -4.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -3.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 -3.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -4.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -4.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 -3.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -2.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -3.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 -2.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 -3.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7883 -2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 -1.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -2.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -5.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0316 -5.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2092 -6.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -6.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 -6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -7.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -8.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 -8.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 -7.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 -8.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -9.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -8.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7887 -4.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9007 -3.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1903 -1.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3679 -1.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2557 -2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0781 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 0.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 -0.2433 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 2 0 0 0 0 9 10 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 4 0 0 0 12 13 2 0 0 0 0 13 14 1 4 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 4 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 2 1 0 0 0 0 41 42 1 0 0 0 0 42 5 1 0 0 0 0 41 43 1 0 0 0 0 27 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 50 55 1 0 0 0 0 23 56 1 0 0 0 0 21 57 1 0 0 0 0 20 58 1 0 0 0 0 19 59 1 0 0 0 0 59 60 1 0 0 0 0 16 61 1 0 0 0 0 14 62 1 0 0 0 0 8 63 1 0 0 0 0 7 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > CHEBI:91355 > LSM-1052 > 2 > C51H79NO13 > 914.174 > 913.55514 > 0 > CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC > InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3 > QFJCIRLUMZQUOT-UHFFFAOYSA-N > LSM-1052 $$$$