21118293 CDK 1019211303 39 45 0 0 0 0 0 0 0 0999 V2000 6.0690 1.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4398 2.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 1.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 3.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7541 -1.7348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1774 0.3501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4712 -0.1394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1221 1.1733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6969 0.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9207 -0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 1.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8108 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 1.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1082 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5987 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4975 -0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9204 3.0188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4142 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 -1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6345 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -2.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1284 3.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 -2.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1425 2.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -2.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 -3.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 -1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0702 3.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 4 26 2 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 1 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 6 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 1 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 15 17 1 6 0 0 0 16 19 1 0 0 0 0 19 23 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 39 1 6 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 25 30 2 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 33 2 0 0 0 0 36 37 2 0 0 0 0 M END > CHEBI:181944 > Aflatrem > 2 > aflatrem > (1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one > C32H39NO4 > 501.667 > 501.28791 > 0 > O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=C(C(C)(C)C=C)C=CC5)[H])C)(CC[C@]67O[C@](C(O6)(C)C)(C(=O)C=C27)[H])C > InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1 > YVDJBQQJIDPRKP-SLUQHKSNSA-N > 70553-75-2 > 70553-75-2 > C20555 $$$$