Mrv0541 02241201052D 72 71 0 0 1 0 999 V2000 28.3892 -9.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4281 -10.1308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4669 -9.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3891 -8.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5056 -10.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6780 -11.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1833 -11.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7871 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5016 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9306 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6451 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3595 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0740 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7885 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5029 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2174 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9319 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6464 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3609 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0753 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7898 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5043 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2188 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9332 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6478 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3622 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0767 -10.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7912 -9.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7912 -8.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8174 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5319 -11.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2464 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9609 -11.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6753 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 -11.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1043 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8188 -11.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5333 -11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2477 -11.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9622 -11.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6767 -11.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3912 -11.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1057 -11.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8201 -11.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5346 -11.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2491 -11.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9635 -11.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9635 -12.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6706 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3851 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0996 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8141 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5286 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2430 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9575 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6720 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3864 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1009 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8154 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5299 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2444 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9588 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6733 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3878 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1023 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8167 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5312 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2457 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9602 -8.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6747 -8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6747 -7.2285 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 2 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 5 1 0 0 0 0 29 30 2 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 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 6 48 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 4 1 0 0 0 0 71 72 2 0 0 0 0 M END > BMDB0010545 > bmdb > [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C65H102O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,48,51,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m0/s1 > PKSYBCOQZZXUCU-UTFFPODGSA-N > C65H102O6 > 979.5018 > 978.767640996 > 3 > 122.43535616000686 > 0 > 0 > 0 > 0 > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.97 > 20.805049114333332 > -8.14 > 0 > 0 > 0 > -6.567013933320493 > 78.9 > 319.1034999999999 > 52 > 0 > 7.16e-06 g/l > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010545 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$