Mrv1652309052217362D 64 64 0 0 1 0 999 V2000 4.1779 -13.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -13.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5974 -13.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 -13.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 -13.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 -13.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4364 -13.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1935 -13.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6257 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7203 -11.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4774 -11.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1398 -11.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -11.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5593 -11.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3164 -11.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9788 -11.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7359 -11.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3984 -12.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1554 -11.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8179 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5749 -11.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2374 -12.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9944 -12.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6569 -12.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4140 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0764 -12.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9818 -13.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8335 -12.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9281 -11.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4959 -12.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2530 -12.6236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9154 -13.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6725 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3349 -13.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0920 -12.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7544 -13.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.5115 -13.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6061 -12.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6598 -14.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3222 -14.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9027 -14.5905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.8081 -15.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2403 -14.0988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4832 -14.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3476 -11.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6852 -11.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1047 -11.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1993 -10.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7671 -11.9679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1723 -12.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5242 -11.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6188 -10.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9564 -10.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0510 -9.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3886 -9.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4832 -8.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8208 -7.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9154 -6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2530 -6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3476 -5.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6852 -5.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7798 -4.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1174 -3.7724 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 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 1 0 0 0 0 18 19 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 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 4 0 0 0 29 31 2 0 0 0 0 32 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 1 6 0 0 0 42 44 1 0 0 0 0 35 44 1 0 0 0 0 44 45 1 1 0 0 0 32 46 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 1 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > NP0215852 > NP-MRD > CCCCCCCCCCC\C=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCC\C=C/CCCCCC > InChI=1S/C52H99NO11/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-44(56)51(62)53-42(41-63-52-50(61)49(60)48(59)45(40-54)64-52)46(57)47(58)43(55)38-36-34-32-30-28-14-12-10-8-6-4-2/h13,15,36,38,42-50,52,54-61H,3-12,14,16-35,37,39-41H2,1-2H3,(H,53,62)/b15-13-,38-36-/t42-,43+,44+,45+,46-,47+,48+,49-,50+,52+/m0/s1 > PFGBDILFOCIIDY-WWNNYBHGSA-N > C52H99NO11 > 914.36 > 913.721813012 > 12 > 163 > 114.15867302381326 > 0 > 9 > 0 > 0 > (2R,21Z)-2-hydroxy-N-[(2S,3S,4R,5R,6Z)-3,4,5-trihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-6-en-2-yl]octacos-21-enimidic acid > 11.86615281366667 > 0 > 1 > 0 > 12.140662245522785 > 3.8810831531165366 > 1.6505715669585803 > 212.88999999999996 > 259.2545 > 44 > 0 > (2R,21Z)-2-hydroxy-N-[(2S,3S,4R,5R,6Z)-3,4,5-trihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-6-en-2-yl]octacos-21-enimidic acid > 0 > NP0215852 > (2r,21z)-2-hydroxy-n-[(2s,3s,4r,5r,6z)-3,4,5-trihydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-6-en-2-yl]octacos-21-enimidic acid $$$$