CDK 1030232201 54 60 0 0 0 0 0 0 0 0999 V2000 2.3389 -3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 -4.8109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -3.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -5.4240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2500 -4.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -3.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -5.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -5.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -6.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -2.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -6.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -5.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 -6.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -3.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0955 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -6.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 -6.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 -7.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -3.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -2.2311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -7.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -7.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -5.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 -8.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8442 -7.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -3.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0955 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 -8.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 -7.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -8.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 -7.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -3.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -5.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -9.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 -8.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 -9.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1413 -8.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -7.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -2.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -5.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -5.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9454 -2.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 -0.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5164 -4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 -5.9256 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 2 4 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 6 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 27 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 2 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 2 0 0 0 0 27 36 1 0 0 0 0 28 37 2 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 31 41 2 0 0 0 0 34 42 2 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 36 45 2 0 0 0 0 37 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 47 49 2 0 0 0 0 48 50 2 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 50 54 1 0 0 0 0 6 9 1 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 25 35 1 0 0 0 0 27 34 1 0 0 0 0 30 38 1 0 0 0 0 37 45 1 0 0 0 0 M END > CHEBI:216876 > (-)-(S)-variecolortide D > 2 > (6'Z,15S)-4,6,10-trihydroxy-12-methyl-6'-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]spiro[14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-15,3'-piperazine]-2',5',8-trione > C44H43N3O7 > 725.842 > 725.31010 > 0 > O=C/1N[C@@]2(OC3=C4C(C(=O)C5=C(C4=C2)C=C(O)C=C5O)=C(O)C=C3C)C(=O)N\C1=C/C=6C7=C(C(=CC(=C7)CC=C(C)C)CC=C(C)C)NC6C(C=C)(C)C > InChI=1S/C44H43N3O7/c1-9-43(7,8)40-29(28-16-24(12-10-21(2)3)15-25(37(28)46-40)13-11-22(4)5)19-31-41(52)47-44(42(53)45-31)20-30-27-17-26(48)18-33(50)34(27)38(51)36-32(49)14-23(6)39(54-44)35(30)36/h9-11,14-20,46,48-50H,1,12-13H2,2-8H3,(H,45,53)(H,47,52)/b31-19-/t44-/m0/s1 > JFDWXLHLIPDPPE-VJPKEJTJSA-N $$$$