Mrv1572004261615302D 76 76 0 0 1 0 999 V2000 -13.2232 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 4.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5996 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8200 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 3.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1964 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 2.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4168 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7932 0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0137 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4545 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 -2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8041 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -3.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -3.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -4.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 -4.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 -4.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 -5.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 -5.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 -6.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -7.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -7.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7772 -5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -7.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 -8.4057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9943 -7.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 -9.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -8.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -8.8734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4009 -6.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -5.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 -7.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8846 -8.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -6.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -9.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 -7.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -10.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 -9.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 -6.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -8.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -6.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -9.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -9.3411 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.9491 1.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 2.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8577 -0.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9868 0.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 -0.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0782 -0.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -0.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -7.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 -7.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 -9.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -7.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -8.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 -8.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 -9.6530 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 1 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 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 24 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 53 45 1 0 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 1 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 11 1 0 0 0 0 63 12 1 0 0 0 0 64 13 1 0 0 0 0 65 14 1 0 0 0 0 66 17 1 0 0 0 0 67 18 1 0 0 0 0 68 19 1 0 0 0 0 69 21 1 0 0 0 0 39 70 1 6 0 0 0 71 42 1 0 0 0 0 43 72 1 1 0 0 0 73 44 1 0 0 0 0 74 45 1 0 0 0 0 75 46 1 0 0 0 0 47 76 1 1 0 0 0 M END > CHEM039195 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)C1([H])O)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(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)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,39,42-47,50-54H,3-10,15-16,20,22-38H2,1-2H3,(H,55,56)/b13-11+,14-12+,19-17+,21-18+/t39-,42?,43-,44?,45?,46?,47-/m1/s1 > DSTZBWQTOOOXEM-WPUIYGDBSA-N > C47H83O13P > 887.142 > 886.557129731 > 9 > 144 > 101.09158275589053 > 0 > 6 > 0 > 0 > [(2R)-3-[(11E,14E)-icosa-11,14-dienoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.33 > 10.213781253333337 > -6.31 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 242.64020000000008 > 40 > 0 > 4.32e-04 g/l > (2R)-3-[(11E,14E)-icosa-11,14-dienoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > PI(20:2(11Z,14Z)/18:2(9Z,12Z)) $$$$