CDK 1030232202 37 41 0 0 0 0 0 0 0 0999 V2000 1.6166 1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8971 -0.3356 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 3.4491 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -1.1202 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 1.0165 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 2.4131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9590 -1.2917 0.0000 C 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 4.5111 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 3.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0668 2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 3.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 3.8342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5819 2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 3.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0735 4.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 4.4155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5885 5.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 5.1691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6120 4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 3.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 5.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 4.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 5.7503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0223 6.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 5.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 7.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 6.9027 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 4 2 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 14 8 1 6 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 18 20 2 0 0 0 0 21 18 1 0 0 0 0 19 22 1 0 0 0 0 23 21 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 1 0 0 0 26 23 1 0 0 0 0 24 27 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 1 0 0 0 28 31 1 1 0 0 0 29 32 1 0 0 0 0 33 31 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 5 7 2 0 0 0 0 15 17 1 0 0 0 0 23 22 1 1 0 0 0 27 28 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:221139 > Anthcolorin D > 2 > (3S)-3-[[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-hydroxypropan-2-yl)-6a,10b-dimethyl-7-methylidene-1,2,3,4a,5,6,8,9,10,10a-decahydrobenzo[]chromen-8-yl]methyl]-1-(2-methylbut-3-en-2-yl)-3H-indol-2-one > C33H47NO3 > 505.743 > 505.35559 > 0 > O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C > InChI=1S/C33H47NO3/c1-9-30(3,4)34-25-13-11-10-12-23(25)24(29(34)35)20-22-14-15-26-32(7,21(22)2)18-17-28-33(26,8)19-16-27(37-28)31(5,6)36/h9-13,22,24,26-28,36H,1-2,14-20H2,3-8H3/t22-,24-,26+,27+,28-,32+,33-/m0/s1 > QWTTYYHQARGNPV-XLWHRKMNSA-N $$$$