CDK 1030232201 37 43 0 0 0 0 0 0 0 0999 V2000 -4.9740 -6.5127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 -5.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6885 -5.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 -4.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6885 -4.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 -3.8981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -4.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8025 -3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 -2.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1381 -2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -1.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5250 -1.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1875 -2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -1.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3816 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -1.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6671 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 0.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 10 12 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 11 15 1 6 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 14 19 1 6 0 0 0 16 20 1 6 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 21 24 2 0 0 0 0 25 21 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 26 29 2 0 0 0 0 30 26 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 6 8 1 0 0 0 0 9 10 2 0 0 0 0 12 14 1 0 0 0 0 19 22 1 0 0 0 0 23 25 1 0 0 0 0 27 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:213690 > Asperindole A > 2 > [(1R,4R,5S,16S,19S,23R,24S)-10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8(13),9,11,20-pentaen-24-yl] acetate > C29H32ClNO6 > 526.030 > 525.19182 > 0 > ClC1=CC=2NC=3[C@@]4([C@@]5([C@](O)(C6=CC(=O)[C@H]7[C@](OC(=O)C)(C)CO[C@@]6(O7)CC5)CC[C@H]4CC3C2C=C1)C)C > InChI=1S/C29H32ClNO6/c1-15(32)36-25(2)14-35-29-10-9-26(3)27(4)16(7-8-28(26,34)22(29)13-21(33)24(25)37-29)11-19-18-6-5-17(30)12-20(18)31-23(19)27/h5-6,12-13,16,24,31,34H,7-11,14H2,1-4H3/t16-,24-,25-,26+,27+,28+,29+/m0/s1 > TXNJCXRRMWHWPI-VZTTULSBSA-N $$$$