Mrv1652304052008492D 107106 0 0 0 0 999 V2000 12.6177 -13.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -12.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 -12.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -13.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -14.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 -13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -13.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -14.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -13.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -13.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -12.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -12.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -12.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -11.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -10.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -10.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -10.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -9.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -9.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -10.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -8.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -8.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -8.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -7.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 -2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5296 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5296 -6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -2.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 -0.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 1.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 3.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 3.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 4 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 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 40 42 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 4 0 0 0 50 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 4 0 0 0 60 62 2 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 33 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 79 2 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 89 90 1 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 2 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97 99 2 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 104105 1 0 0 0 0 104106 1 0 0 0 0 106107 1 0 0 0 0 M END > BMDB0097030 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC(COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC)COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC > InChI=1S/C67H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,13-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17?,21-18-,28-25-,29-26-,30-27-,36-33-,37-34?,43-40?,44-41-,45-42-,52-49-,53-50-,54-51- > TXFNNQRHRBSQFS-JDGXNUPKSA-N > C67H96O6 > 997.499 > 996.720690811 > 3 > 169 > 120.50192292316105 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4Z,7Z,13Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 8.92 > 19.884578161 > -7.70 > 0 > 0 > 0 > -6.568201538186382 > 78.9 > 333.88849999999974 > 49 > 0 > 2.00e-05 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4Z,7Z,13Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0097030 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$