Mrv0541 08141218172D 72 71 0 0 0 0 999 V2000 13.2060 -11.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5847 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 4.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 -10.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1273 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6383 3.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0167 -10.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 4.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -9.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8466 3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8275 -9.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0233 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 3.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 -8.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5659 3.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6383 -8.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7426 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2724 -8.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 -8.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5534 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 -7.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2599 -7.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 -6.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -6.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 -5.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -4.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -4.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -1.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 -4.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -4.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -2.2440 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2084 -2.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -4.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -0.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3137 -3.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -1.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -2.6100 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -9.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2852 4.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7298 -7.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8341 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 20 2 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 50 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 51 49 1 0 0 0 0 52 43 1 0 0 0 0 53 44 1 0 0 0 0 54 45 1 0 0 0 0 55 50 1 0 0 0 0 56 52 2 0 0 0 0 57 53 2 0 0 0 0 58 54 2 0 0 0 0 61 46 1 0 0 0 0 61 52 1 0 0 0 0 62 48 1 0 0 0 0 62 53 1 0 0 0 0 63 47 1 0 0 0 0 64 49 1 0 0 0 0 65 51 1 0 0 0 0 65 54 1 0 0 0 0 66 59 1 0 0 0 0 66 60 2 0 0 0 0 66 63 1 0 0 0 0 66 64 1 0 0 0 0 67 19 1 0 0 0 0 68 20 1 0 0 0 0 69 21 1 0 0 0 0 70 22 1 0 0 0 0 71 23 1 0 0 0 0 72 24 1 0 0 0 0 M CHG 1 59 -1 M END > M2MDB001708 > M2MDB > [H]\C(CCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCCCC\C([H])=C(/[H])CCCCCC > InChI=1S/C54H99O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(56)61-46-50(55)47-63-66(59,60)64-49-51(65-54(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-62-53(57)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,50-51,55H,4-18,25-49H2,1-3H3,(H,59,60)/p-1/b22-19+,23-20+,24-21+ > ISOXHMBLKVGIAT-IKVQWSBMSA-M > C54H98O11P > 954.3231 > 953.68467549 > 6 > 117.93013636438627 > 0 > 1 > -1 > 0 > 1-[(9E)-hexadec-9-enoyloxy]-3-({3-[(9E)-hexadec-9-enoyloxy]-2-hydroxypropyl phosphonato}oxy)propan-2-yl (9E)-hexadec-9-enoate > 9.30 > 16.772340451666672 > -7.45 > 0 > 0 > -1 > 13.655609257720403 > 1.890769243070881 > -3.4040033610242 > 157.71999999999997 > 271.12839999999994 > 53 > 0 > 3.43e-05 g/l > 1-[(9E)-hexadec-9-enoyloxy]-3-({3-[(9E)-hexadec-9-enoyloxy]-2-hydroxypropyl phosphonato}oxy)propan-2-yl (9E)-hexadec-9-enoate > 0 > ECMDB21304 > Acyl phosphatidylglycerol (N-C16:1) $$$$