Mrv1652309032212152D 28 32 0 0 1 0 999 V2000 0.4282 -1.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -2.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 -2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 -1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 -0.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 -1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 1.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0004 0.1098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4497 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0952 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -1.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 -1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -2.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 -0.7152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3337 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9127 -1.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 6 25 1 0 0 0 0 25 14 1 1 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 19 28 1 0 0 0 0 M END > NP0173172 > NP-MRD > COC1=CC=C2[C@H]3N(CCC4=CC5=C(OCO5)C=C4C3=O)C(=O)CC2=C1OC > InChI=1S/C21H19NO6/c1-25-15-4-3-12-14(21(15)26-2)9-18(23)22-6-5-11-7-16-17(28-10-27-16)8-13(11)20(24)19(12)22/h3-4,7-8,19H,5-6,9-10H2,1-2H3/t19-/m1/s1 > RIGDPEKYCIWKDD-LJQANCHMSA-N > C21H19NO6 > 381.384 > 381.121237336 > 6 > 47 > 39.549586389215165 > 1 > 0 > 0 > 1 > (1R)-18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0^{3,11}.0^{5,9}.0^{17,22}]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione > 1.73 > 1.7945890120000003 > -3.38 > 0 > 5 > 0 > 15.832067846389304 > -2.7593589096844044 > 74.30000000000001 > 99.1857 > 2 > 1 > 1.60e-01 g/l > (1R)-18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0^{3,11}.0^{5,9}.0^{17,22}]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione > 0 > NP0173172 > (1r)-18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0³,¹¹.0⁵,⁹.0¹⁷,²²]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione $$$$