Mrv1652310031619512D 70 70 0 0 1 0 999 V2000 -6.0058 4.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5964 0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8775 3.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 3.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1849 0.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3908 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0324 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9041 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 -0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5457 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4173 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6474 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -0.1763 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 1.3086 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7492 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4369 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6208 -2.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8509 -2.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -2.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7226 -3.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 -4.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -4.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 -4.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 -4.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -5.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 -5.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 -7.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 -8.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -7.3627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9260 -5.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 -7.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -8.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1987 -7.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 -9.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6800 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 -8.9980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5677 -6.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 -5.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -7.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1249 -8.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 -6.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -9.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 -8.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 -10.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8279 -9.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -6.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 -8.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -6.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 -9.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -9.5113 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.3156 0.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 -0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 0.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -7.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 -7.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 -9.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 -7.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -8.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -8.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -9.7679 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 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 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 1 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 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 37 35 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 38 2 0 0 0 0 47 39 2 0 0 0 0 48 40 1 0 0 0 0 41 49 1 6 0 0 0 50 42 1 0 0 0 0 43 51 1 1 0 0 0 52 44 1 0 0 0 0 55 35 1 0 0 0 0 55 38 1 0 0 0 0 56 36 1 0 0 0 0 37 57 1 1 0 0 0 57 39 1 0 0 0 0 45 58 1 6 0 0 0 59 53 1 0 0 0 0 59 54 2 0 0 0 0 59 56 1 0 0 0 0 59 58 1 0 0 0 0 60 13 1 0 0 0 0 61 15 1 0 0 0 0 62 18 1 0 0 0 0 63 20 1 0 0 0 0 37 64 1 6 0 0 0 65 40 1 0 0 0 0 41 66 1 1 0 0 0 67 42 1 0 0 0 0 43 68 1 1 0 0 0 69 44 1 0 0 0 0 45 70 1 1 0 0 0 M END > BMDB0009825 > bmdb > [H]\C(CCCCCC)=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)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC > InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40-45,48-52H,3-12,14,16-17,19,21-36H2,1-2H3,(H,53,54)/b15-13-,20-18-/t37-,40?,41-,42?,43-,44?,45-/m1/s1 > FTAJUMMOKVEZBE-YSJMUZLPSA-N > C45H83O13P > 863.12 > 862.557129731 > 9 > 142 > 100.81508533138657 > 0 > 6 > 0 > 0 > [(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.60 > 10.04848723666667 > -6.16 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 231.2050000000001 > 40 > 0 > 5.98e-04 g/l > (2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009825 > PI(18:1(11Z)/18:1(9Z)) $$$$