15051720 -OEChem-04262423042D 63 66 0 1 0 0 0 0 0999 V2000 5.1991 1.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 -2.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -3.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0994 -1.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6549 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3047 2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 -4.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7235 -0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -1.5731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9357 0.6973 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8352 -3.9685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 -1.1343 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6268 -0.5751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6769 -0.2686 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9024 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9485 -1.0633 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7257 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3673 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 -0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0103 1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0403 1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 -3.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0852 -1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2812 2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 2.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 4.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7721 -1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 1.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 0.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5149 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 -1.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 -2.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7814 1.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 -1.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 -2.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 -2.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 2.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8677 -4.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3552 -3.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8514 -2.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 -3.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0141 -2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4808 3.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 2.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 3.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4612 3.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1749 1.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8823 2.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3642 3.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 4.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 5.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 4.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 42 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 20 2 0 0 0 0 5 22 1 0 0 0 0 5 29 1 0 0 0 0 6 27 1 0 0 0 0 6 31 1 0 0 0 0 7 27 1 0 0 0 0 7 32 1 0 0 0 0 8 28 2 0 0 0 0 9 29 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 28 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 15051720 > 1 > 807 > 10 > 2 > 10 > AAADceB7PAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAUCAAADSzxmAcyzoNQBgCIAiXSWACCCAAhIgAgiAAObIkeZiLE8Zu+eijnxhnc6Afw0PMOwAABQgAKAACAAAKEABQAAAAAAAAAAA== > [11-acetyl-8-(carbamoyloxymethyl)-4-(diethoxymethyl)-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] acetate > acetic acid [11-acetyl-8-(carbamoyloxymethyl)-4-(diethoxymethyl)-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] ester > [11-acetyl-8-(carbamoyloxymethyl)-4-(diethoxymethyl)-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] acetate > [11-acetyl-8-(carbamoyloxymethyl)-4-(diethoxymethyl)-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] acetate > [8-(aminocarbonyloxymethyl)-4-(diethoxymethyl)-11-ethanoyl-9-oxidanyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] ethanoate > acetic acid [11-acetyl-8-(carbamoyloxymethyl)-4-(diethoxymethyl)-9-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] ester > InChI=1S/C22H29N3O9/c1-5-30-20(31-6-2)13-7-15-18(17(8-13)33-12(4)27)14(10-32-21(23)28)22(29)19-16(9-24(15)34-22)25(19)11(3)26/h7-8,14,16,19-20,29H,5-6,9-10H2,1-4H3,(H2,23,28) > LPNYUWBHUFFOCF-UHFFFAOYSA-N > -0.2 > 479.19037951 > C22H29N3O9 > 479.5 > CCOC(C1=CC2=C(C(C3(C4C(N4C(=O)C)CN2O3)O)COC(=O)N)C(=C1)OC(=O)C)OCC > CCOC(C1=CC2=C(C(C3(C4C(N4C(=O)C)CN2O3)O)COC(=O)N)C(=C1)OC(=O)C)OCC > 150 > 479.19037951 > 0 > 34 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 10 3 14 16 3 17 21 3 18 19 8 18 22 8 19 23 8 15 2 3 22 26 8 23 25 8 25 26 8 $$$$