Ketcher 05292411452D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 -18.5990 5.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5990 6.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7341 7.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7341 5.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8688 5.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8688 6.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5990 7.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7341 6.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5990 4.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8688 8.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7341 8.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0035 7.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0035 8.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0534 8.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0532 6.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4661 7.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0534 9.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1897 8.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0035 9.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8688 7.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0035 5.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.7961 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3784 7.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3471 5.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.3693 5.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4084 7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9868 4.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6278 4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7951 6.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.2083 8.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.0736 8.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9388 8.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0736 9.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4899 4.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0045 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5201 6.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5539 11.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5530 11.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8616 10.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2450 10.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 3 6 1 0 0 0 1 4 1 0 0 0 3 2 1 0 0 0 2 7 1 1 0 0 3 8 1 6 0 0 1 9 1 6 0 0 10 11 1 0 0 0 12 13 1 0 0 0 10 13 1 0 0 0 11 3 1 0 0 0 6 12 1 0 0 0 15 16 1 0 0 0 14 16 1 0 0 0 14 13 1 0 0 0 12 15 2 0 0 0 17 14 1 0 0 0 14 18 1 1 0 0 13 19 1 6 0 0 6 20 1 1 0 0 5 21 1 6 0 0 22 23 1 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 26 23 1 0 0 0 25 1 1 0 0 0 2 26 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 22 29 2 0 0 0 26 30 1 6 0 0 31 32 1 0 0 0 31 33 2 0 0 0 30 31 1 0 0 0 35 36 2 0 0 0 34 35 1 0 0 0 35 21 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 37 40 1 0 0 0 39 17 1 0 0 0 17 40 2 0 0 0 M END > CHEBI:231482 > kihadalactone A > 2 > kihadalactone A > C30H40O7 > 512.643 > 512.27740 > 0 > [C@@]12([C@]([C@@]3([C@@]([C@@H](C1)OC(=O)C)(C=4[C@@](CC3)([C@@](CC4)(C=5C=COC5)[H])C)C)[H])(C)[C@H](CC(OC2(C)C)=O)OC(C)=O)[H] > InChI=1S/C30H40O7/c1-17(31)35-24-14-23-27(3,4)37-26(33)15-25(36-18(2)32)30(23,7)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)29(22,24)6/h9,11,13,16,20,22-25H,8,10,12,14-15H2,1-7H3/t20-,22-,23-,24+,25-,28-,29-,30+/m0/s1 > ONWYJKOVGIGNQN-IFRITVQJSA-N > 36701471 $$$$