11957460 -OEChem-05062401292D 96 97 0 1 0 0 0 0 0999 V2000 15.1244 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 7.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7320 -7.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 5.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9157 7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -7.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 5.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 4.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 5.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -5.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -5.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8144 5.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4344 6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -5.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9893 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 71 1 0 0 0 0 2 14 1 0 0 0 0 2 72 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 20 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 21 25 2 0 0 0 0 21 63 1 0 0 0 0 22 26 2 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 27 1 0 0 0 0 25 73 1 0 0 0 0 26 28 1 0 0 0 0 26 74 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 32 34 1 0 0 0 0 32 82 1 0 0 0 0 33 35 2 0 0 0 0 33 83 1 0 0 0 0 34 36 2 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 86 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 40 2 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 40 44 1 0 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 44 2 0 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 M END > 11957460 > 1 > 1340 > 4 > 2 > 10 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgCIAqBSAAIAAAAgAAAICAFAAAgIFBIAAQAAUAAEgAAIkAOIwMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-hydroxy-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-4-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-one > 2-hydroxy-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enone > 2-hydroxy-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-4-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-one > 2-hydroxy-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-4-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-one > 3,5,5-trimethyl-2-oxidanyl-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanyl-4-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-one > 2-hydroxy-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E,17E)-18-(3-hydroxy-4-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-one > InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,37-38,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16-,29-19+,30-20+ > RQWOHGAQECLWCJ-LGRNBLSQSA-N > 9.1 > 596.38656014 > C40H52O4 > 596.8 > CC1=C(C(CC(=O)C1O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(C(=O)CC2(C)C)O)C)C)C > CC1=C(C(CC(=O)C1O)(C)C)/C=C/C(=C/C=C/C(=C\C=C\C=C(/C=C/C=C(/C=C/C2=C(C(C(=O)CC2(C)C)O)C)\C)\C)/C)/C > 74.6 > 596.38656014 > 0 > 44 > 0 > 2 > 9 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 3 14 2 3 $$$$