Mrv0541 02241202492D 175182 0 0 1 0 999 V2000 6.6162 -19.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -19.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -19.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -18.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -18.2319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3307 -18.6444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0451 -18.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 -17.4069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3307 -16.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -17.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -16.9944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9017 -16.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1631 -15.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -16.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7001 -15.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -17.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 -16.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -16.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5432 -16.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8950 -17.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3307 -19.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 -15.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4943 -15.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2079 -16.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 -16.3751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0654 -15.9610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0673 -15.1360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3538 -14.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6384 -15.1327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6365 -15.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -16.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3481 -17.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6327 -17.6077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6307 -18.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3684 -18.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0616 -17.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -14.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 -15.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7471 -13.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7378 -14.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7827 -14.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2853 -11.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5838 -12.0762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0670 -12.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3655 -13.4884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1808 -13.6144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6976 -12.9713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3991 -12.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 -13.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4793 -14.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2055 -12.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -10.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5633 -11.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8518 -12.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3267 -13.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6150 -14.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4286 -14.1437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9538 -13.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6654 -12.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7674 -13.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7171 -14.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0898 -14.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7498 -11.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -14.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -13.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 -13.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 -13.4256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 -13.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0693 -14.6657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7822 -15.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 -14.6707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5011 -13.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -13.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -12.6057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5069 -12.1957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5099 -11.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 -10.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 -12.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -12.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3808 -14.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 -14.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8114 -15.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -15.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 -9.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -10.3847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3529 -10.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8243 -10.8769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1085 -11.6514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9213 -11.7926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4499 -11.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 -12.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -10.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -9.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4102 -8.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 -13.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5241 -13.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 -13.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 -7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 -8.5530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2189 -8.3911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6741 -9.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9383 -9.7922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7473 -9.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2920 -9.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -10.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 -8.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 -7.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 -7.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -8.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -7.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7523 -6.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -7.1107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -7.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6460 -8.4541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2773 -8.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -8.7043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1974 -7.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 -7.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 -6.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4862 -6.2675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6354 -5.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -4.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 -6.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -9.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -9.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 -10.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 -8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4865 -14.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1964 -13.6283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9154 -14.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6253 -13.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3443 -14.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0541 -13.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7732 -14.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4831 -13.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2021 -13.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9119 -13.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6310 -13.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3408 -13.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0599 -13.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7697 -13.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4888 -13.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1986 -13.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9176 -13.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9246 -14.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1871 -12.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6276 -13.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7609 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0464 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3319 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6174 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9029 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1885 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4740 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7595 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0451 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3305 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6161 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9016 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9016 -11.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4754 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1899 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9044 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6188 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3333 -12.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0478 -12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7622 -12.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4768 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1912 -12.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9057 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6202 -12.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3346 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0491 -12.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7636 -12.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 1 0 0 0 8 20 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 1 0 0 0 13 14 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 37 1 1 0 0 0 29 40 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 6 0 0 0 33 34 1 0 0 0 0 33 20 1 1 0 0 0 34 35 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 43 42 1 1 0 0 0 42 52 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 51 1 1 0 0 0 45 46 1 0 0 0 0 45 40 1 1 0 0 0 46 47 1 0 0 0 0 46 50 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 54 53 1 1 0 0 0 53 63 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 55 49 1 6 0 0 0 56 57 1 0 0 0 0 56 62 1 1 0 0 0 57 58 1 0 0 0 0 57 61 1 6 0 0 0 58 59 1 0 0 0 0 58 60 1 1 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 83 1 6 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 80 1 1 0 0 0 71 15 1 6 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 79 1 6 0 0 0 75 76 1 0 0 0 0 75 78 1 1 0 0 0 76 77 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 85 84 1 1 0 0 0 84 94 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 86 87 1 0 0 0 0 86 93 1 1 0 0 0 87 88 1 0 0 0 0 87 92 1 1 0 0 0 88 89 1 0 0 0 0 88 91 1 6 0 0 0 89 90 1 0 0 0 0 89 51 1 1 0 0 0 95 91 1 0 0 0 0 96 95 1 0 0 0 0 97 95 2 0 0 0 0 99 98 1 1 0 0 0 98108 1 0 0 0 0 99100 1 0 0 0 0 99104 1 0 0 0 0 100101 1 0 0 0 0 100107 1 1 0 0 0 101102 1 0 0 0 0 101106 1 1 0 0 0 102103 1 0 0 0 0 102105 1 6 0 0 0 103104 1 0 0 0 0 103 92 1 1 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 110112 1 0 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 114115 1 0 0 0 0 114128 1 6 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116125 1 1 0 0 0 116106 1 6 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 6 0 0 0 120121 1 0 0 0 0 120123 1 1 0 0 0 121122 1 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 129 60 1 0 0 0 0 130129 1 0 0 0 0 131130 1 0 0 0 0 132131 1 0 0 0 0 133132 2 0 0 0 0 134133 1 0 0 0 0 135134 1 0 0 0 0 136135 1 0 0 0 0 137136 1 0 0 0 0 138137 1 0 0 0 0 139138 1 0 0 0 0 140139 1 0 0 0 0 141140 1 0 0 0 0 142141 1 0 0 0 0 143142 1 0 0 0 0 144143 1 0 0 0 0 145144 1 0 0 0 0 131146 1 1 0 0 0 130147 1 6 0 0 0 148145 1 0 0 0 0 150149 1 0 0 0 0 151150 1 0 0 0 0 152151 1 0 0 0 0 153152 1 0 0 0 0 154153 1 0 0 0 0 155154 1 0 0 0 0 156155 1 0 0 0 0 157156 1 0 0 0 0 158157 1 0 0 0 0 159158 1 0 0 0 0 160159 1 0 0 0 0 147160 1 0 0 0 0 161160 2 0 0 0 0 162149 1 0 0 0 0 163162 1 0 0 0 0 164163 1 0 0 0 0 165164 1 0 0 0 0 166165 1 0 0 0 0 167166 1 0 0 0 0 168167 1 0 0 0 0 169168 1 0 0 0 0 170169 1 0 0 0 0 171170 1 0 0 0 0 172171 1 0 0 0 0 173172 1 0 0 0 0 174173 1 0 0 0 0 175174 1 0 0 0 0 M END > FDB028629 > foodb > CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C115H199N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(141)120-66(67(134)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)59-160-105-92(149)91(148)96(78(57-127)163-105)166-107-94(151)103(97(79(58-128)164-107)167-104-65(46-60(3)129)95(87(144)74(53-123)161-104)165-106-93(150)102(88(145)75(54-124)162-106)174-114(110(156)157)49-70(137)82(117-62(5)131)99(171-114)86(143)73(140)52-122)175-115(111(158)159)50-71(138)84(119-64(7)133)101(173-115)90(147)77(56-126)169-113(109(154)155)48-69(136)83(118-63(6)132)100(172-113)89(146)76(55-125)168-112(108(152)153)47-68(135)81(116-61(4)130)98(170-112)85(142)72(139)51-121/h42,44,65-79,81-107,121-128,134-140,142-151H,8-41,43,45-59H2,1-7H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,141)(H,152,153)(H,154,155)(H,156,157)(H,158,159)/b44-42+/t65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98?,99?,100?,101?,102+,103-,104+,105-,106+,107+,112-,113-,114+,115+/m1/s1 > MRMOLQSJSJISNF-WIHPQNJESA-N > C115H199N5O55 > 2531.8111 > 2530.292855603 > 55 > 270.5223093469548 > 0 > 34 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-hexacosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 1.01 > -0.6524942216666688 > -3.75 > 1 > 8 > -4 > 2.6118510499809493 > 2.1619347183861306 > -3.9476121977780165 > 965.2000000000007 > 595.4540999999999 > 82 > 0 > 4.48e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-hexacosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > FDB028629 > Ganglioside GQ1c (d18:1/26:0) $$$$