CDK 1030232202 26 30 0 0 0 0 0 0 0 0999 V2000 3.3722 1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 0.7551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9112 1.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2561 0.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8971 -0.3355 0.0000 C 0 0 2 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 2.1341 1.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 1.2206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7224 2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8081 0.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -1.1202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7691 1.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0564 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 2.5037 0.0000 C 0 0 0 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 2.6000 -1.7332 0.0000 C 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 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 2.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 -2.0764 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 1 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 5 9 1 6 0 0 0 6 10 1 1 0 0 0 11 6 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 1 0 0 0 7 14 1 0 0 0 0 8 15 1 1 0 0 0 9 16 1 0 0 0 0 17 11 1 0 0 0 0 11 18 1 1 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 15 21 1 1 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 1 0 0 0 20 26 1 0 0 0 0 8 5 1 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 18 19 1 0 0 0 0 19 24 1 0 0 0 0 M END > CHEBI:219244 > Periconiasin D > 2 > (1S,2S,5S,6R,7S,10S,12R,16S)-1-hydroxy-7,8,12-trimethyl-5-(2-methylpropyl)-13-oxa-4-azapentacyclo[12.2.1.02,6.02,10.012,16]heptadec-8-en-3-one > C22H33NO3 > 359.510 > 359.24604 > 0 > O=C1N[C@@H](CC(C)C)[C@H]2[C@@]13[C@@]4(O)[C@H]5[C@@](OC(C4)C5)(C)C[C@H]3C=C(C)[C@H]2C > InChI=1S/C22H33NO3/c1-11(2)6-16-18-13(4)12(3)7-14-9-20(5)17-8-15(26-20)10-21(17,25)22(14,18)19(24)23-16/h7,11,13-18,25H,6,8-10H2,1-5H3,(H,23,24)/t13-,14-,15?,16+,17-,18+,20-,21+,22-/m1/s1 > MWUDXCKYFLGDEF-PQWFSCETSA-N $$$$