CDK 1030232202 36 40 0 0 0 0 0 0 0 0999 V2000 4.5159 -3.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -2.8022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3499 -4.0284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2432 -5.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -2.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -2.1891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0950 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -4.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.8461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8130 -2.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7511 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -3.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 -2.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 -1.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7567 -0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9705 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6735 0.8792 0.0000 C 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 4.9284 1.6639 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 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 2.2769 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 5 3 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 6 0 0 0 4 8 1 0 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 13 8 1 0 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 15 17 2 0 0 0 0 20 24 1 0 0 0 0 28 31 1 0 0 0 0 M END > CHEBI:217269 > Asperfumigatin > 2 > (1R,2S,12R,15S)-1,2-dihydroxy-12-(2-hydroxypropan-2-yl)-7-methoxy-10-(3-methylbut-2-enoyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione > C26H31N3O7 > 497.548 > 497.21620 > 0 > O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3C(O)(C)C)C(=O)C=C(C)C)CCC2 > InChI=1S/C26H31N3O7/c1-13(2)11-18(30)28-17-12-14(36-5)8-9-15(17)19-20(28)21(25(3,4)34)29-23(32)16-7-6-10-27(16)24(33)26(29,35)22(19)31/h8-9,11-12,16,21-22,31,34-35H,6-7,10H2,1-5H3/t16-,21+,22-,26+/m0/s1 > RSHXVOKGTKPYNS-VWXOGXHKSA-N $$$$