24782163 -OEChem-04232402422D 84 84 0 1 0 0 0 0 0999 V2000 14.1244 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 -1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8564 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1024 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 51 1 0 0 0 0 2 11 2 0 0 0 0 3 24 1 0 0 0 0 3 37 1 0 0 0 0 4 28 1 0 0 0 0 4 84 1 0 0 0 0 5 28 2 0 0 0 0 6 37 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 20 2 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 28 1 0 0 0 0 19 59 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 21 33 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 1 0 0 0 22 32 1 0 0 0 0 22 60 1 0 0 0 0 23 27 2 0 0 0 0 23 63 1 0 0 0 0 24 30 1 1 0 0 0 24 62 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 29 34 2 0 0 0 0 29 70 1 0 0 0 0 30 35 2 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 36 2 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 79 1 0 0 0 0 36 37 1 0 0 0 0 36 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 M END > 24782163 > 1 > 1010 > 6 > 2 > 14 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAABgCIAqDSCAAAAAAgAAAICAEAAEgIFBYAIQACUAAE4AAIsYOIiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E,10E,12E,16Z,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxo-nonadeca-2,10,12,16,18-pentaenoic acid > (2E,10E,12E,16Z,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid > (2E,10E,12E,16Z,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid > (2E,10E,12E,16Z,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid > (2E,10E,12E,16Z,18E)-3,5,7,9,11,15,17-heptamethyl-19-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-6-oxidanyl-8-oxidanylidene-nonadeca-2,10,12,16,18-pentaenoic acid > (2E,10E,12E,16Z,18E)-6-hydroxy-8-keto-19-[(2S,3S)-6-keto-3-methyl-2,3-dihydropyran-2-yl]-3,5,7,9,11,15,17-heptamethyl-nonadeca-2,10,12,16,18-pentaenoic acid > InChI=1S/C32H46O6/c1-20(16-22(3)12-14-28-24(5)13-15-30(35)38-28)10-9-11-21(2)17-25(6)31(36)27(8)32(37)26(7)18-23(4)19-29(33)34/h9,11-17,19-20,24-28,32,37H,10,18H2,1-8H3,(H,33,34)/b11-9+,14-12+,21-17+,22-16-,23-19+/t20?,24-,25?,26?,27?,28-,32?/m0/s1 > QECBVZBMGUAZDL-VXSHSDIZSA-N > 7.4 > 526.32943918 > C32H46O6 > 526.7 > CC1C=CC(=O)OC1C=CC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C > C[C@H]1C=CC(=O)O[C@H]1/C=C/C(=C\C(C)C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C(=O)O)/C)O)/C)/C > 101 > 526.32943918 > 0 > 38 > 2 > 5 > 5 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 3 14 16 3 21 33 3 22 31 5 24 30 5 8 12 3 9 13 3 $$$$