Mrv1652303062020222D 61 61 0 0 0 0 999 V2000 9809.3880 9800.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9808.6769 9800.9769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9807.9678 9800.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9807.2587 9800.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9805.8405 9800.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9809.0873 9801.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9808.2685 9801.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9810.8041 9799.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9812.2240 9800.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9809.3880 9802.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9810.8041 9803.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9812.2240 9802.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9810.8054 9800.5680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9811.5149 9800.9776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9811.5149 9801.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9810.8054 9802.2067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9810.0957 9801.7970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9810.0957 9800.9776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9806.5497 9800.5699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9806.5497 9799.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9805.1323 9800.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9804.4222 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9804.4222 9801.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9803.7080 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9802.9939 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9802.2798 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9801.5657 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9800.8515 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9800.1375 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9799.4234 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9798.7093 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9797.8843 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9797.1702 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9796.4560 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9795.7419 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9795.0279 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9794.3137 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9793.5996 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9792.8856 9800.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9792.1714 9800.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9805.8543 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9805.8543 9798.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9805.0957 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9804.3371 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9803.5785 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9802.8199 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9801.9435 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9801.1849 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9800.4262 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9799.5498 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9798.7911 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9798.0326 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9797.1563 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9796.3977 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9795.6389 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9794.7626 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9794.0040 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9793.2454 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9792.4868 9799.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9791.7282 9799.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9790.9695 9799.7870 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 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 13 14 1 0 0 0 0 13 18 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 1 1 6 0 0 0 13 8 1 1 0 0 0 14 9 1 6 0 0 0 15 12 1 1 0 0 0 16 11 1 6 0 0 0 17 10 1 6 0 0 0 4 19 1 0 0 0 0 19 5 1 0 0 0 0 19 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 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 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 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 5 21 1 0 0 0 0 41 42 2 0 0 0 0 41 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 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 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 2 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 20 41 1 0 0 0 0 M END > BMDB0009844 > bmdb > CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 > SHIZRFSRTKXRQL-PJBFRWFCSA-N > C47H81O13P > 885.126 > 884.541479666 > 9 > 142 > 100.75519448149518 > 0 > 6 > 0 > 0 > [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.16 > 9.851859596666667 > -6.28 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462030662 > -3.6458130204247565 > 209.50999999999996 > 243.75680000000006 > 39 > 0 > 4.61e-04 g/l > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy([(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009844 > PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) $$$$