CDK 1030232202 30 33 0 0 0 0 0 0 0 0999 V2000 4.2869 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4454 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 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 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 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 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2177 -2.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -2.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 -2.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -2.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 -2.9077 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 8 5 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 6 0 0 0 12 13 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 19 17 1 6 0 0 0 19 20 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 1 0 0 0 22 26 1 1 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 8 11 1 0 0 0 0 18 19 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 M END > CHEBI:222855 > Tricholopardin A > 2 > (5R)-5-[2-[(1S,3S,3'S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde > C25H40O5 > 420.590 > 420.28757 > 0 > O=CC1=C(CC[C@H](C1(C)C)CC[C@@H]2CO[C@]3(O[C@]4(O)C(C)(C)O[C@]3(CC4)C)CC2)C > InChI=1S/C25H40O5/c1-17-7-9-19(21(2,3)20(17)15-26)10-8-18-11-12-25(28-16-18)23(6)13-14-24(27,30-25)22(4,5)29-23/h15,18-19,27H,7-14,16H2,1-6H3/t18-,19-,23-,24-,25-/m0/s1 > YVVBWHWZYRDAJE-ZGTHKHSNSA-N $$$$