Ketcher 11051514122D 1 1.00000 0.00000 0 171178 0 0 0 999 V2000 17.7536 -10.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0280 -9.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7536 -11.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5832 -10.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8908 -11.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0280 -8.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6163 -12.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4460 -10.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2317 -7.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8577 -7.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4460 -11.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6163 -13.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2756 -10.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2317 -6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3688 -8.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8577 -6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6872 -8.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2756 -12.4109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7868 -13.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4792 -13.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0280 -6.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3688 -6.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -8.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6872 -6.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1384 -11.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9572 -13.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7868 -14.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6433 -8.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5168 -5.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1384 -10.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9680 -12.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9572 -15.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6433 -10.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3688 -10.3867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7804 -8.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5168 -4.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -6.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7804 -9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6433 -11.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3688 -11.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 -8.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -4.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6872 -4.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2092 -5.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3465 -7.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 -10.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2317 -11.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -11.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2092 -4.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0720 -6.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0720 -4.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2272 -10.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6253 -12.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4792 -12.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8244 -4.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -6.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 -8.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9552 -15.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 -14.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 -14.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9552 -15.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 -15.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 -15.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 -13.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 -16.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6145 -14.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 -16.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 -15.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 -12.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8136 -12.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 -17.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 -11.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 -13.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8136 -11.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 -11.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 -11.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -14.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -13.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -12.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -15.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -15.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 -12.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -16.4925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -17.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 -18.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 -18.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7096 -13.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 -10.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2297 -11.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6082 -12.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -11.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6082 -13.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -12.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -13.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -13.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -14.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -11.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -10.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -10.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -9.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -12.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -12.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -10.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -13.9374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -14.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -15.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -15.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -11.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1015 -11.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6082 -10.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9662 -15.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1033 -16.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7293 -16.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1033 -17.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7293 -17.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -17.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5258 -17.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -17.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4109 -17.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 -17.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6854 -17.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1033 -18.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -18.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4109 -16.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8998 -18.7491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7293 -19.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7293 -20.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5922 -18.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -15.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -14.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 -15.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9210 -4.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7045 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5206 -4.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7045 -3.5331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3696 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5534 -5.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4881 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2184 -4.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4881 -2.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3369 -3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0672 -4.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9161 -4.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7649 -4.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6138 -4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6362 -5.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7824 -6.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7717 -7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9461 -7.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9352 -8.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0814 -9.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0707 -10.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2451 -10.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2675 -11.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1856 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0342 -3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8829 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7316 -3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5803 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4288 -3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2775 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1262 -3.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9748 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8829 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7316 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5803 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4288 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2775 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9748 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1262 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 6 2 1 1 0 0 3 7 1 0 0 0 4 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 13 1 6 0 0 9 14 1 0 0 0 9 15 1 1 0 0 10 16 1 0 0 0 10 17 1 6 0 0 11 18 1 1 0 0 12 19 1 0 0 0 12 20 1 6 0 0 14 21 1 0 0 0 14 22 1 1 0 0 23 15 1 1 0 0 16 24 1 1 0 0 18 25 1 0 0 0 19 26 1 1 0 0 19 27 1 0 0 0 23 28 1 0 0 0 23 29 1 0 0 0 30 24 1 6 0 0 25 31 2 0 0 0 25 32 1 0 0 0 27 33 1 0 0 0 28 34 1 0 0 0 28 35 1 6 0 0 29 36 1 0 0 0 30 37 1 0 0 0 30 38 1 0 0 0 34 39 1 0 0 0 34 40 1 1 0 0 35 41 1 0 0 0 36 42 1 1 0 0 37 43 1 0 0 0 37 44 1 1 0 0 38 45 1 0 0 0 38 46 1 1 0 0 39 47 1 1 0 0 41 48 1 0 0 0 41 49 2 0 0 0 43 50 1 0 0 0 45 51 1 6 0 0 50 52 1 1 0 0 8 11 1 0 0 0 16 21 1 0 0 0 36 39 1 0 0 0 45 50 1 0 0 0 5 53 1 0 0 0 5 54 2 0 0 0 7 55 1 1 0 0 44 56 1 0 0 0 22 57 1 0 0 0 42 58 1 0 0 0 59 60 1 0 0 0 59 61 1 6 0 0 59 62 1 0 0 0 59 63 1 1 0 0 60 64 1 0 0 0 65 61 1 1 0 0 62 66 1 0 0 0 63 67 1 0 0 0 63 68 2 0 0 0 64 69 1 0 0 0 65 70 1 0 0 0 65 71 1 0 0 0 66 72 1 6 0 0 70 73 1 0 0 0 70 74 1 1 0 0 71 75 1 0 0 0 73 76 1 0 0 0 73 77 1 1 0 0 75 40 1 1 0 0 66 69 1 0 0 0 75 76 1 0 0 0 64 78 1 0 0 0 78 79 1 0 0 0 79 80 1 6 0 0 64 81 1 1 0 0 78 82 1 6 0 0 79 83 1 0 0 0 69 84 1 1 0 0 84 85 1 0 0 0 85 86 1 0 0 0 85 87 2 0 0 0 71 88 1 6 0 0 77 89 1 0 0 0 83 90 1 0 0 0 91 92 1 0 0 0 91 93 1 0 0 0 92 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 95 97 1 6 0 0 95 96 1 0 0 0 94 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 94102 1 1 0 0 98103 1 6 0 0 99104 1 1 0 0 96105 1 1 0 0 105106 1 0 0 0 106107 1 0 0 0 106108 2 0 0 0 91109 1 1 0 0 91 80 1 6 0 0 109110 2 0 0 0 109111 1 0 0 0 112 26 1 6 0 0 112113 1 0 0 0 112114 1 0 0 0 113115 1 0 0 0 114116 1 0 0 0 115117 1 0 0 0 116118 1 6 0 0 116117 1 0 0 0 115119 1 0 0 0 119120 1 0 0 0 120121 1 0 0 0 121122 1 0 0 0 115123 1 1 0 0 119124 1 6 0 0 120125 1 1 0 0 117126 1 1 0 0 126127 1 0 0 0 127128 1 0 0 0 127129 2 0 0 0 112130 1 1 0 0 130131 1 0 0 0 130132 2 0 0 0 52133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134136 1 6 0 0 135137 1 0 0 0 135138 1 1 0 0 136139 1 0 0 0 137140 2 0 0 0 139141 2 0 0 0 139142 1 0 0 0 140143 1 0 0 0 143144 1 0 0 0 144145 1 0 0 0 145146 1 0 0 0 146147 1 0 0 0 147148 1 0 0 0 148149 1 0 0 0 149150 1 0 0 0 150151 1 0 0 0 151152 1 0 0 0 152153 1 0 0 0 153154 1 0 0 0 154155 1 0 0 0 156157 1 0 0 0 157158 1 0 0 0 158159 1 0 0 0 159160 1 0 0 0 160161 1 0 0 0 161162 1 0 0 0 162163 1 0 0 0 163164 1 0 0 0 142156 1 0 0 0 165166 1 0 0 0 166167 1 0 0 0 167168 1 0 0 0 168169 1 0 0 0 170171 1 0 0 0 164170 1 0 0 0 169171 1 0 0 0 M CHG 4 53 -1 67 -1 111 -1 131 -1 M END > CHEBI:88228 > alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(4-) > An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GQ1b (d18:1/C18:0); major species at pH 7.3. > 3 > N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-(N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3))-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(octadecanoyl)-sphing-4-enine; GQ1b(d18:1/C18:0)(4-); alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(octadecanoyl)sphingosine(4-); (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C106H178N6O55 > 2416.559 > 2415.13380 > -4 > [C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O)CO)O)[H])C([O-])=O > InChI=1S/C106H182N6O55/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-70(133)112-56(57(126)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)50-152-96-83(141)82(140)86(68(48-119)155-96)157-98-85(143)94(167-106(102(150)151)41-61(130)74(110-54(6)124)92(165-106)81(139)67(47-118)161-104(100(146)147)39-59(128)72(108-52(4)122)90(163-104)77(135)63(132)43-114)87(69(49-120)156-98)158-95-75(111-55(7)125)88(78(136)64(44-115)153-95)159-97-84(142)93(79(137)65(45-116)154-97)166-105(101(148)149)40-60(129)73(109-53(5)123)91(164-105)80(138)66(46-117)160-103(99(144)145)38-58(127)71(107-51(3)121)89(162-103)76(134)62(131)42-113/h34,36,56-69,71-98,113-120,126-132,134-143H,8-33,35,37-50H2,1-7H3,(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,133)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/p-4/b36-34+/t56-,57+,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82+,83+,84+,85+,86+,87-,88+,89+,90+,91+,92+,93-,94+,95-,96+,97-,98-,103+,104+,105-,106-/m0/s1 > LRUVGSYWSFDCIT-VQDJAOHXSA-J > 12530538 $$$$