CL(16:0/22:1(13Z)/22:1(13Z)/22:1(13Z)) Mrv1652303302023032D 113112 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 18.7772 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0631 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3489 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6348 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9207 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4924 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7783 -5.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0642 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3501 -5.2747 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 19.8937 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1796 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4654 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7513 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0372 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3231 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6089 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0698 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3557 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9275 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2133 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7851 -6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 -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 14.9160 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2019 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4878 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9486 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2345 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5204 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2357 -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 14.5763 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8621 -11.0830 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 8.0383 -10.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3242 -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 68 1 0 0 0 0 13 45 1 0 0 0 0 23 91 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 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 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 45 46 2 0 0 0 0 45 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 53 1 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 2 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 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 68 69 2 0 0 0 0 68 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 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 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 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 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 91 92 2 0 0 0 0 91 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 1 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 2 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 M END > CDB003703 > CDB > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C91H172O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h33-38,85-87,92H,5-32,39-84H2,1-4H3,(H,97,98)(H,99,100)/b36-33-,37-34-,38-35-/t85-,86+,87+/m0/s1 > LUVCGWWCWWNTJK-PMCMDOSUSA-N > C91H172O17P2 > 1600.308 > 1599.206978074 > 9 > 282 > 197.922258553424 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(13Z)-docos-13-enoyloxy]propoxy][3-({[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.08 > 30.629588061333337 > -7.35 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 456.2694999999999 > 93 > 0 > 7.11e-05 g/l > (2R)-2,3-bis[(13Z)-docos-13-enoyloxy]propoxy(3-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > CDB003703 > CL(16:0/22:1(13Z)/22:1(13Z)/22:1(13Z)) $$$$