formocortal CDK 0223171740 null 42 46 0 0 0 0 0 0 0 0999 V2000 1.1733 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 -0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -3.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2559 -1.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -4.2712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2106 -4.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4980 -3.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -3.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -5.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0709 -3.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 -5.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -3.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -3.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6831 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -5.5181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3583 -4.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6377 -2.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -5.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0709 -6.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -3.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -5.9277 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -5.5181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3583 -6.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -6.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -5.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -7.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -6.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -8.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -6.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4939 -6.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -6.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 -6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 -6.3495 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -5.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -4.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 -3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 5 1 0 0 0 0 4 1 1 1 0 0 0 6 4 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 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 0 0 0 0 7 14 1 0 0 0 0 7 42 1 1 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 2 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 40 1 6 0 0 0 19 12 1 0 0 0 0 14 15 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 41 1 1 0 0 0 22 19 1 0 0 0 0 19 24 1 1 0 0 0 22 25 1 6 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 26 28 1 1 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:135834 > formocortal > 2 > fluoroformylone; fluoroformylon; fluoformylon; deflamene; cutisterol > C29H38ClFO8 > 569.060 > 568.22392 > 0 > C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(=C(C4)C=O)C=C(CC5)OCCCl)[H])[H] > InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1 > QNXUUBBKHBYRFW-QWAPGEGQSA-N > 2825-60-7 $$$$