Mrv1652309072212302D 26 30 0 0 1 0 999 V2000 8.4059 2.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 3.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 1.7123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9794 1.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 0.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4341 0.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4359 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8888 2.3691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0641 2.3885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7236 3.1399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 1.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 0.9473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7171 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 -0.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 -0.1492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 -1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 1.1853 0.0000 C 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 5 3 1 6 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 15 26 1 0 0 0 0 M END > NP0248299 > NP-MRD > CCC(=O)[C@]12O[C@H]1[C@H]1OC[C@@H]2[C@@H](N)C[C@@]11C(=O)N(OC)C2=CC=CC=C12 > InChI=1S/C19H22N2O5/c1-3-14(22)19-11-9-25-15(16(19)26-19)18(8-12(11)20)10-6-4-5-7-13(10)21(24-2)17(18)23/h4-7,11-12,15-16H,3,8-9,20H2,1-2H3/t11-,12+,15-,16+,18+,19+/m1/s1 > RFPHGCDVSVHKPW-BPFBMMQYSA-N > C19H22N2O5 > 358.394 > 358.152871816 > 6 > 48 > 36.308171020155626 > 1 > 1 > 0 > 1 > (1'S,2'R,3S,4'S,5'S,8'S)-8'-amino-1-methoxy-2'-propanoyl-1,2-dihydro-3',10'-dioxaspiro[indole-3,6'-tricyclo[3.3.2.0^{2,4}]decane]-2-one > 0.9171789776666661 > 0 > 5 > 1 > 17.819018132771546 > 9.527287942461573 > 94.38999999999999 > 90.5167 > 3 > 1 > (1'S,2'R,3S,4'S,5'S,8'S)-8'-amino-1-methoxy-2'-propanoyl-3',10'-dioxaspiro[indole-3,6'-tricyclo[3.3.2.0^{2,4}]decane]-2-one > 0 > NP0248299 > (1's,2'r,3s,4's,5's,8's)-8'-amino-1-methoxy-2'-propanoyl-3',10'-dioxaspiro[indole-3,6'-tricyclo[3.3.2.0²,⁴]decan]-2-one $$$$