Mrv0541 09211104552D 48 53 0 0 0 0 999 V2000 4.4800 3.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 1.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -0.3989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5815 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9419 2.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 2.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 2.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0264 1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 2.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 3.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8719 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 3.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 1.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 0.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 0.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 -0.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 -0.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 -1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 -2.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 -3.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 -3.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -2.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 -1.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 1.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 1.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 3.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 2.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 2.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0892 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 0.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 13 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 1 0 0 0 0 2 18 1 0 0 0 0 18 19 2 0 0 0 0 5 19 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 7 24 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 25 48 1 0 0 0 0 M END > t3db > T3D2864 > OC1=CC=C2CC3N(CC4CC4)CCC45C(OC1=C24)C(=O)CCC35O > InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2 > InChIKey=DQCKKXVULJGBQN-UHFFFAOYSA-N > 5 > 35.95468116244717 > 2 > 341.162708229 > 0 > C20H23NO4 > 4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one > 1.362675231722749 > 341.4009 > 13.580740243335214 > 70 > 91.50149999999996 > 2 > 4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one $$$$