CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) Mrv1652303312000022D 105104 0 0 0 0 999 V2000 28.9804 -8.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3986 -7.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9260 -6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4530 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3442 -5.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2255 -7.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5641 -7.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6600 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6989 -5.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7376 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6212 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7764 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8928 -6.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4797 -6.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -4.8685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9761 -5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -3.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9412 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9800 -9.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0188 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9024 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0576 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1460 -10.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7329 -10.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -9.3529 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -8.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7092 -10.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3478 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6337 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9195 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2054 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4913 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6663 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9522 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2381 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4131 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6989 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9848 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1598 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4457 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7316 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0174 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5892 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -7.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4643 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7502 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0360 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3219 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6078 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7828 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0687 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3546 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5296 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8154 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1013 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2763 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5622 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8481 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1339 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4198 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7057 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -8.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6290 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9149 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2007 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4866 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7725 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0584 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3443 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6301 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8051 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0910 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3769 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5519 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8378 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1236 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2986 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5845 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8704 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7175 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0034 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2892 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8610 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1469 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4328 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7186 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0045 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4654 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7513 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0371 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3230 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6089 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8948 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1807 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4665 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 12 28 1 0 0 0 0 22 66 1 0 0 0 0 13 47 1 0 0 0 0 23 85 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 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 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 2 0 0 0 0 47 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 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 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 64 65 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 85 86 2 0 0 0 0 85 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 M END > FDB096951 > foodb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-41-36-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h11,15,22-24,26-28,33-37,39-41,47,49,51,53,77-79,84H,5-10,12-14,16-21,25,29-32,38,42-46,48,50,52,54-76H2,1-4H3,(H,89,90)(H,91,92)/b15-11-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,51-47-,53-49-/t77-,78+,79+/m0/s1 > SNJDHRQOXPWSHU-DGAJVLNISA-N > C83H142O17P2 > 1473.98 > 1472.972227108 > 9 > 244 > 172.9918809895801 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.19 > 24.53958714466667 > -7.26 > 0 > 0 > -2 > 2.191804358217228 > 1.5897376143223663 > -3.4105029523385797 > 236.94999999999996 > 427.2776999999998 > 78 > 0 > 8.11e-05 g/l > (2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > FDB096951 > CL(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z)) $$$$