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0 -10.1550 -1.0957 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 1.7843 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7013 1.3346 -1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 1.3441 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9969 -0.4171 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 2.0555 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6545 -0.9980 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2666 3.5644 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -2.5059 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 1.4352 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5153 -0.2731 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 2.0229 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1434 -0.7466 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 1.3129 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 0.0901 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 1.8439 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -0.2912 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 3.3435 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 -1.7636 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.9630 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 0.6044 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7549 1.2544 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.3547 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 -2.4887 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 -3.6436 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6802 -0.8244 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3386 -0.9639 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5531 -1.9826 -1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6358 1.4660 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0689 -0.2635 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3195 0.1136 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5185 1.2458 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8444 2.4780 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 -3.6252 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -2.2697 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 -2.1445 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3658 -2.0550 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8009 -3.5723 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6826 -2.2302 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1163 0.2319 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2989 -1.3289 2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0259 -1.2233 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5257 -3.0392 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7785 -3.1616 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7308 -2.8691 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.2055 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1508 -2.1783 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6229 2.3048 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4080 2.1330 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 2.1110 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2247 1.7322 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9509 0.6517 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2109 2.1763 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8231 -3.3949 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8402 1.1778 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 1.7736 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0026 0.6675 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2862 3.9274 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 3.9652 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 3.9852 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1076 -2.9168 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9789 -2.9137 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5482 -2.9274 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 0.3446 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 0.8130 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 3.1072 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 -1.8115 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 0.2257 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 1.1638 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 3.7823 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 3.6799 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 3.7742 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -2.2408 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 -2.2460 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -2.0297 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -0.1034 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 1.6631 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 2.3016 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -0.6810 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 73 1 0 0 0 0 2 8 1 0 0 0 0 2 74 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 8 12 1 0 0 0 0 8 48 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 2 0 0 0 0 19 65 1 0 0 0 0 20 24 2 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 24 26 1 0 0 0 0 24 76 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 31 1 0 0 0 0 29 83 1 0 0 0 0 30 32 1 0 0 0 0 30 84 1 0 0 0 0 31 33 2 0 0 0 0 31 85 1 0 0 0 0 32 34 2 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 87 1 0 0 0 0 34 36 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 39 2 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 41 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 41 42 2 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 M END > DB11176 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JKQXZKUSFCKOGQ-QAYBQHTQSA-N/SDF?record_type=3d > C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C > InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 > JKQXZKUSFCKOGQ-QAYBQHTQSA-N > C40H56O2 > 568.886 > 568.428031043 > 2 > 98 > 73.46744361216797 > 0 > 2 > 0 > 0 > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol > 8.30 > 8.350644046 > -5.94 > 0 > 2 > 0 > 18.907213404525137 > 18.907213404525137 > -0.7887548611967236 > 40.46 > 194.9508 > 10 > 0 > 6.49e-04 g/l > zeaxanthin > 0 $$$$