Mrv1652304052015282D 78 77 0 0 1 0 999 V2000 9.7086 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8572 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2848 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8572 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9993 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5716 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7137 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2861 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4282 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0006 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4282 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7150 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7150 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0006 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4282 2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0006 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4282 1.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2861 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7137 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5716 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9993 1.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8572 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2848 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5703 1.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4282 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5703 2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7137 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9993 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2848 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1414 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1414 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4269 6.4302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5703 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1414 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5703 7.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2835 7.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 5.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9980 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4269 5.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9993 6.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 5.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4295 3.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 4.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4295 5.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8572 2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7150 6.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1427 1.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2861 7.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7137 0.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2848 0.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8559 1.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4269 7.2552 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 2 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 2 0 0 0 0 21 18 2 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 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 28 1 0 0 0 0 30 26 2 0 0 0 0 31 27 2 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 35 31 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 2 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 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 56 54 1 0 0 0 0 56 55 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 57 2 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 54 1 0 0 0 0 63 57 1 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 56 65 1 6 0 0 0 65 59 1 0 0 0 0 66 9 1 0 0 0 0 67 12 1 0 0 0 0 68 17 1 0 0 0 0 69 18 1 0 0 0 0 70 20 1 0 0 0 0 71 21 1 0 0 0 0 72 26 1 0 0 0 0 73 27 1 0 0 0 0 74 30 1 0 0 0 0 75 31 1 0 0 0 0 76 38 1 0 0 0 0 77 41 1 0 0 0 0 56 78 1 6 0 0 0 M END > BMDB0100394 > bmdb > [H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,30-31,38,41,56H,4-8,10-11,13-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b12-9-,20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m1/s1 > OUDDBCROTIJNID-HESJFKEISA-N > C59H102O6 > 907.459 > 906.767641004 > 3 > 167 > 117.74145790343061 > 0 > 0 > 0 > 0 > (2S)-2-[(6Z,9Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate > 10.79 > 20.30916706433333 > -8.06 > 0 > 0 > 0 > -6.5658686010866605 > 78.9 > 284.7979 > 52 > 0 > 7.96e-06 g/l > (2S)-2-[(6Z,9Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate > 0 > BMDB0100394 > TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) $$$$