Mrv1652303302020132D 135134 0 0 1 0 999 V2000 21.5765 -3.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9014 -3.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2263 -3.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2517 -3.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5511 -3.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3746 -4.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9268 -3.1936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5370 -2.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3166 -3.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6019 -2.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2770 -3.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9521 -2.8038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6273 -3.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4891 -4.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2651 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5285 -2.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3401 -2.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5484 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2629 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9774 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6918 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8353 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2643 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9788 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6932 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4077 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1222 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8367 -3.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8367 -2.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2284 -4.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9429 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6574 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3718 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0864 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 -4.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5153 -4.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2298 -4.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9442 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6587 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0878 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8022 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5167 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2312 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9456 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6601 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6601 -5.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0052 -3.1317 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.7452 -3.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3698 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6405 -3.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2534 -2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9730 -2.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6729 -2.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0138 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1069 -4.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0757 -4.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7445 -3.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3294 -4.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0663 -3.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5076 -1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -2.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 -3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7527 -4.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 -4.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5411 -2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3663 -2.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4047 -4.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4132 -4.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -2.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8802 -2.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -4.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8758 -4.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8129 -2.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7495 -2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8145 -4.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 -4.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8402 -2.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5261 -2.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3995 -4.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3455 -4.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1615 -2.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8852 -2.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0548 -4.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6454 -4.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6438 -2.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3419 -2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4881 -4.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0958 -4.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0547 -2.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7338 -2.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0241 -4.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0040 -3.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 -3.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6885 -3.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 -5.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 -5.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5954 -5.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3441 -3.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3560 -3.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2495 -5.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -5.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8381 -3.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9828 -3.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0538 -5.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 -5.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9029 -3.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9402 -3.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -5.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7873 -5.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8753 -4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7493 -3.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0713 -5.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7066 -5.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7012 -3.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3058 -3.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4391 -5.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1217 -5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1432 -3.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7450 -3.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9792 -5.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6755 -5.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5682 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1804 -3.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2251 -2.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3505 -4.4387 0.0000 H 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 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 2 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 6 54 1 0 0 0 0 57 56 2 0 0 0 0 58 56 1 0 0 0 0 59 56 1 0 0 0 0 15 56 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 3 62 1 0 0 0 0 3 63 1 0 0 0 0 9 64 1 0 0 0 0 11 65 1 0 0 0 0 11 66 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 0 0 0 0 20 76 1 0 0 0 0 21 77 1 0 0 0 0 21 78 1 0 0 0 0 22 79 1 0 0 0 0 22 80 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 24 83 1 0 0 0 0 25 84 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 40110 1 0 0 0 0 40111 1 0 0 0 0 41112 1 0 0 0 0 41113 1 0 0 0 0 42114 1 0 0 0 0 43115 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45118 1 0 0 0 0 46119 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 49124 1 0 0 0 0 49125 1 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 51128 1 0 0 0 0 51129 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 53132 1 0 0 0 0 53133 1 0 0 0 0 58134 1 0 0 0 0 59135 1 0 0 0 0 M END > CDB001239 > CDB > [H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,39-40,43H,3-11,16-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,15-13-,20-18-/t39-,40+/m0/s1 > KXNDXPNFUNCZCH-YRUDZPEDSA-N > C42H78O13P2 > 853.0084 > 852.491765606 > 8 > 135 > 95.37749794914649 > 0 > 4 > 0 > 0 > [(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid > 7.41 > 11.505995178 > -6.10 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 227.93560000000008 > 43 > 0 > 6.84e-04 g/l > (2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxyphosphonic acid > 0 > CDB001239 > PGP(18:1(11Z)/18:2(9Z,12Z)) $$$$