CDK 1030232203 24 25 0 0 0 0 0 0 0 0999 V2000 -1.3683 -3.4858 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 -2.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7537 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 0.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4618 0.1499 0.0000 O 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 -3.2823 0.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 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 3.5724 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 10 8 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 6 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 4 6 1 0 0 0 0 10 11 1 0 0 0 0 M END > CHEBI:225463 > Thiocarboxylic C1 > 2 > methyl (5R)-5-[(1E,3E,5R)-5-hydroxyhexa-1,3-dienyl]-5-methyl-2-(2-methylthiophen-3-yl)-4-oxouran-3-carboxylate > C18H20O5S > 348.410 > 348.10314 > 0 > S1C(=C(C=2O[C@@](/C=C/C=C/[C@H](O)C)(C)C(C2C(=O)OC)=O)C=C1)C > InChI=1S/C18H20O5S/c1-11(19)7-5-6-9-18(3)16(20)14(17(21)22-4)15(23-18)13-8-10-24-12(13)2/h5-11,19H,1-4H3/b7-5+,9-6+/t11-,18-/m1/s1 > ZQQAGLDUCINCOJ-WHCIWBQMSA-N $$$$