CDK 1028232202 38 43 0 0 0 0 0 0 0 0999 V2000 7.1249 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7941 0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -0.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 0.1857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9525 -1.1430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1042 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 0.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 -0.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 0.8501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1326 -1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 -1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2809 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -0.6615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8158 1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 -1.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 -1.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 0.0839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 -1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2618 -1.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 -2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -1.2311 0.0000 O 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 2.6145 2.1227 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 1.8974 2.5307 0.0000 O 0 0 0 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 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 2.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 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 1 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 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 24 20 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 24 30 1 0 0 0 0 24 31 1 6 0 0 0 28 32 2 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 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 22 1 0 0 0 0 25 30 1 0 0 0 0 29 32 1 0 0 0 0 M END > CHEBI:199478 > 24-hydroxyverruculogen > 2 > (9R,14S,17S,23R,24S)-23,24-dihydroxy-9-[(E)-3-hydroxy-2-methylprop-1-enyl]-5-methoxy-12,12-dimethyl-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione > C27H33N3O8 > 527.574 > 527.22677 > 0 > O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3CC(OO[C@@H]6/C=C(/CO)\C)(C)C)CCC2 > InChI=1S/C27H33N3O8/c1-14(13-31)10-20-29-18-11-15(36-4)7-8-16(18)21-22(29)19(12-26(2,3)38-37-20)30-24(33)17-6-5-9-28(17)25(34)27(30,35)23(21)32/h7-8,10-11,17,19-20,23,31-32,35H,5-6,9,12-13H2,1-4H3/b14-10+/t17-,19-,20+,23-,27+/m0/s1 > OPUYAZPZORIADD-JKPGSCGLSA-N $$$$