Mrv1652309072210282D 27 31 0 0 1 0 999 V2000 6.4591 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 0.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -0.9949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 -1.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7259 0.0326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9932 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 0.0281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4599 -0.1779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 0.7797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3067 1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 0.9152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3799 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 1.1001 0.0000 C 0 0 2 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 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 6 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 18 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 1 6 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 1 0 0 0 16 27 1 0 0 0 0 22 27 1 0 0 0 0 M END > NP0246872 > NP-MRD > CON1C(=O)[C@@]2(C[C@@H]3N=C([C@@H]4C[C@H]2OC[C@H]34)C(C)=O)C2=CC=C(OC)C=C12 > InChI=1S/C20H22N2O5/c1-10(23)18-12-7-17-20(8-15(21-18)13(12)9-27-17)14-5-4-11(25-2)6-16(14)22(26-3)19(20)24/h4-6,12-13,15,17H,7-9H2,1-3H3/t12-,13+,15+,17-,20+/m1/s1 > WGEBYFINRPFCET-MAIFZUMWSA-N > C20H22N2O5 > 370.405 > 370.152871816 > 6 > 49 > 38.049899115399285 > 1 > 0 > 0 > 1 > (1'R,3S,4'S,7'R,8'S)-6'-acetyl-1,6-dimethoxy-1,2-dihydro-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0^{4,8}]undecan]-5'-en-2-one > 1.4536265236666666 > 0 > 5 > 0 > 18.477564014675295 > 2.2582034228269707 > 77.43 > 95.99740000000001 > 3 > 1 > (1'R,3S,4'S,7'R,8'S)-6'-acetyl-1,6-dimethoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0^{4,8}]undecan]-5'-en-2-one > 0 > NP0246872 > (1'r,3s,4's,7'r,8's)-6'-acetyl-1,6-dimethoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one $$$$