Mrv1572004261608512D 75 74 0 0 1 0 999 V2000 -6.0770 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -3.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7901 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3559 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -5.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -6.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 2 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 41 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 46 2 0 0 0 0 50 47 2 0 0 0 0 51 44 1 0 0 0 0 51 46 1 0 0 0 0 45 52 1 6 0 0 0 52 47 1 0 0 0 0 53 5 1 0 0 0 0 54 6 1 0 0 0 0 55 7 1 0 0 0 0 56 8 1 0 0 0 0 57 11 1 0 0 0 0 58 12 1 0 0 0 0 59 13 1 0 0 0 0 60 14 1 0 0 0 0 61 17 1 0 0 0 0 62 18 1 0 0 0 0 63 19 1 0 0 0 0 64 20 1 0 0 0 0 65 23 1 0 0 0 0 66 24 1 0 0 0 0 67 25 1 0 0 0 0 68 26 1 0 0 0 0 69 29 1 0 0 0 0 70 30 1 0 0 0 0 71 31 1 0 0 0 0 72 32 1 0 0 0 0 73 36 1 0 0 0 0 74 38 1 0 0 0 0 45 75 1 6 0 0 0 M END > CHEM037095 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)OC[C@]([H])(CO)OC(=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/C47H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,9-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30+,38-36+/t45-/m0/s1 > GOUJNOAHBHZNEP-IMEQLYEJSA-N > C47H70O5 > 715.072 > 714.522325354 > 3 > 122 > 87.46411261052322 > 0 > 1 > 0 > 0 > (2S)-1-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-hydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 8.43 > 13.356779538666665 > -7.42 > 0 > 0 > 0 > 14.577783786931047 > -2.9834773715963587 > 72.83 > 235.19350000000009 > 35 > 0 > 2.70e-05 g/l > (2S)-1-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-hydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate > 0 > DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) $$$$