Mrv1652304202021052D 72 71 0 0 1 0 999 V2000 25.3543 -11.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3932 -12.0656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4320 -11.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3543 -10.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4708 -12.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6432 -13.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1485 -13.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6102 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3247 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0392 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7536 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4681 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1826 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3260 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0405 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7550 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4694 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1839 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8984 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6129 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3274 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0418 -12.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7563 -11.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7563 -10.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4971 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9260 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6405 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3550 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0695 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7839 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4984 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2129 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9273 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6418 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3563 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0708 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7853 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4998 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2142 -13.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9287 -13.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9287 -14.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6358 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3502 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0647 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4937 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2082 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9227 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6371 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3516 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0661 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7805 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4951 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2095 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9240 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6385 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3529 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0674 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7819 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4964 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2109 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9253 -10.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6398 -9.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6398 -9.1634 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 2 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 1 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 > BMDB0010546 > bmdb > [H]C(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > 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/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40- > ZUNWODIBMWYUGB-SQSZVPJQSA-N > C65H102O6 > 979.5018 > 978.767640996 > 3 > 173 > 120.6413947650365 > 0 > 0 > 0 > 0 > 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 9.89 > 20.805049114333332 > -8.13 > 0 > 0 > 0 > -6.5658679947858 > 78.9 > 319.1034999999999 > 52 > 0 > 7.19e-06 g/l > 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0010546 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] $$$$