Mrv1652310031619532D 78 78 0 0 1 0 999 V2000 -2.0641 12.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3612 9.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 11.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2329 10.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 11.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8745 10.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 10.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7462 11.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 10.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9762 11.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 9.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3346 11.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5647 11.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 9.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9231 10.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 9.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 9.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 10.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 11.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 10.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 10.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 10.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8653 9.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 9.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4098 9.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 8.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5381 8.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 7.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8965 8.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 7.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0248 7.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7902 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 6.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5601 6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 6.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5867 4.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4849 3.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3566 4.2602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6884 5.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 5.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2676 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 -0.1981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7490 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 0.5718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0454 1.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8603 1.2134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0468 5.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 5.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9713 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6012 -0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 0.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1939 0.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7866 2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 1.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4584 5.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8433 2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9982 4.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1567 1.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 2.1117 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 11.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8479 12.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 8.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 8.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4364 12.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1531 11.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 8.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 9.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 12.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 11.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 -0.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -0.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2304 0.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 0.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 40 35 1 0 0 0 0 41 36 1 0 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 47 46 1 0 0 0 0 48 40 2 0 0 0 0 49 41 2 0 0 0 0 50 42 1 0 0 0 0 43 51 1 6 0 0 0 52 44 1 0 0 0 0 45 53 1 1 0 0 0 54 46 1 0 0 0 0 57 37 1 0 0 0 0 57 40 1 0 0 0 0 58 38 1 0 0 0 0 39 59 1 6 0 0 0 59 41 1 0 0 0 0 47 60 1 6 0 0 0 61 55 1 0 0 0 0 61 56 2 0 0 0 0 61 58 1 0 0 0 0 61 60 1 0 0 0 0 62 8 1 0 0 0 0 63 10 1 0 0 0 0 64 11 1 0 0 0 0 65 13 1 0 0 0 0 66 14 1 0 0 0 0 67 16 1 0 0 0 0 68 17 1 0 0 0 0 69 18 1 0 0 0 0 70 20 1 0 0 0 0 71 21 1 0 0 0 0 39 72 1 6 0 0 0 73 42 1 0 0 0 0 43 74 1 1 0 0 0 75 44 1 0 0 0 0 45 76 1 1 0 0 0 77 46 1 0 0 0 0 47 78 1 1 0 0 0 M END > BMDB0009908 > bmdb > [H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O > InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45-,46?,47-/m1/s1 > QRJDLXBDGZQKAL-OLOWMXBSSA-N > C47H81O13P > 885.126 > 884.541479666 > 9 > 142 > 100.62543261144651 > 0 > 6 > 0 > 0 > [(2R)-3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-2-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.07 > 9.851859596666667 > -6.21 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 243.75680000000008 > 39 > 0 > 5.43e-04 g/l > (2R)-3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-2-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009908 > PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z)) $$$$