Marvin 02281315172D 29 30 0 0 0 0 999 V2000 -4.9728 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 -0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 0.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 -0.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 0.2653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0285 -0.1498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7410 0.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 1.5026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7454 1.0857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4624 1.4985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4657 2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7459 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 2.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3066 2.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 1.0832 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3047 1.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4592 0.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -0.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 13 1 1 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 24 25 2 0 0 0 0 12 13 1 0 0 0 0 21 26 1 1 0 0 0 6 7 1 0 0 0 0 19 27 1 6 0 0 0 12 14 2 0 0 0 0 20 28 1 1 0 0 0 3 4 1 0 0 0 0 16 29 1 1 0 0 0 M END > CHEBI:66086 > isariotin F > An organic heterobicyclic compound that is a lactol isolated from the entomopathogenic fungus Isaria tenuipes and exhibits antimalarial and antineoplastic activities. > 3 > (2E)-N-[(2R,3S,4aS,8R,8aR)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromen-3-yl]dodec-2-enamide > C21H32ClNO5 > 413.93500 > 413.19690 > 0 > [H][C@@]12O[C@@H](O)[C@H](C[C@@]1(O)C(=O)C=C[C@H]2Cl)NC(=O)\C=C\CCCCCCCCC > InChI=1S/C21H32ClNO5/c1-2-3-4-5-6-7-8-9-10-11-18(25)23-16-14-21(27)17(24)13-12-15(22)19(21)28-20(16)26/h10-13,15-16,19-20,26-27H,2-9,14H2,1H3,(H,23,25)/b11-10+/t15-,16+,19+,20-,21-/m1/s1 > BQBLZAMUHGIEFL-JRVIZFGFSA-N > 19979530 > 19265430; 19921667 $$$$