CDK 1030232202 37 41 0 0 0 0 0 0 0 0999 V2000 7.8913 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 -3.2862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 -1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 -3.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6326 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 -4.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 -2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 -4.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -1.6820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9957 -3.6064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -4.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.0176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5417 -0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -3.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 -5.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -4.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7880 -2.8381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7627 -2.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 -4.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1205 -2.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 -3.1737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 -5.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 -4.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9021 -1.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -3.9942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6155 -4.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 -4.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 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 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 12 10 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 12 1 1 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 20 15 1 6 0 0 0 21 15 1 0 0 0 0 22 16 1 6 0 0 0 17 23 2 0 0 0 0 19 24 2 3 0 0 0 25 20 1 0 0 0 0 21 26 1 1 0 0 0 27 21 1 0 0 0 0 22 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 31 25 1 0 0 0 0 25 32 1 1 0 0 0 33 27 1 0 0 0 0 30 34 2 0 0 0 0 31 35 1 1 0 0 0 33 36 1 6 0 0 0 35 37 1 0 0 0 0 17 19 1 0 0 0 0 20 22 1 0 0 0 0 27 26 1 1 0 0 0 28 31 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:222003 > (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione > 2 > (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione > C29H38N2O6 > 510.631 > 510.27299 > 0 > O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]([C@@H]3[C@@H]([C@@H]4[C@H](C=CC=C1)C[C@H]5C[C@@H]([C@@H]([C@@H]45)C)CC)O3)O > InChI=1S/C29H38N2O6/c1-3-16-13-18-14-17-7-4-5-9-22(34)30-12-6-8-19-26(35)25(29(36)31-19)20(32)10-11-21(33)27-28(37-27)24(17)23(18)15(16)2/h4-5,7,9-11,15-19,21,23-24,27-28,32-33H,3,6,8,12-14H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,9-5+,11-10+,25-20?/t15-,16-,17+,18+,19?,21-,23+,24+,27+,28+/m0/s1 > NLTDYCOHPJIAFP-SDLZGQCTSA-N $$$$