Mrv1652303252017122D 63 62 0 0 1 0 999 V2000 22.5909 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9158 -3.5738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2407 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2660 -3.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5655 -3.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3890 -4.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9411 -3.1841 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.5514 -2.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3309 -3.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6162 -2.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2913 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9665 -2.7943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6417 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5035 -4.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2795 -2.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5428 -2.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3544 -2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4193 -3.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1338 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5627 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2772 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 -3.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7062 -3.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4207 -3.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1352 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8496 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5641 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2786 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9931 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7076 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4220 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1365 -3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8510 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8510 -2.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6703 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5283 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9572 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1007 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8152 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5297 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2442 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9586 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6731 -4.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3876 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1021 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8166 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5310 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2455 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9600 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6745 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6745 -5.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0195 -3.1222 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7596 -3.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3841 -2.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6549 -3.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 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 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 6 1 0 0 0 0 58 59 2 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 63 60 1 0 0 0 0 15 60 1 0 0 0 0 M END > BMDB0096781 > bmdb > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C46H80O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,43-44,47H,3-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1 > BDGGKMFTHMVMFB-XLLSETQMSA-N > C46H80O13P2 > 903.0671 > 902.50741567 > 8 > 141 > 100.20394309795176 > 0 > 4 > 0 > 0 > [(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 7.77 > 12.198504867999999 > -6.22 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 249.6894000000001 > 44 > 0 > 5.49e-04 g/l > (2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > BMDB0096781 > PGP(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) $$$$