null CDK 0224162159 null 30 31 0 0 0 0 0 0 0 0999 V2000 2.2560 3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 3.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 3.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 2.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 4.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 2.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 3.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 3.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 2.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0647 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1449 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 1.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -0.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 4.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 23 28 1 0 0 0 0 21 29 1 0 0 0 0 10 30 1 0 0 0 0 M END > CHEBI:94322 > 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid > 2 > C23H36O7 > 424.529 > 424.24610 > 0 > CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O > InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) > TUZYXOIXSAXUGO-UHFFFAOYSA-N > LSM-4966 $$$$