CDK 1030232203 32 34 0 0 0 0 0 0 0 0999 V2000 7.7730 -1.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9504 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4847 -1.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 -1.2050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7709 -2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 -1.9487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5603 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 -0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4139 -3.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -2.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 -3.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 -4.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -2.3658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2450 0.4948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5305 -3.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0925 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2607 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 1.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2296 0.8205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6166 1.3726 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 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 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 2 0 0 0 0 7 5 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 6 0 0 0 6 10 1 0 0 0 0 7 11 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 19 16 1 0 0 0 0 16 20 1 6 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 6 0 0 0 25 19 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 26 28 1 6 0 0 0 27 29 1 1 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 6 7 1 0 0 0 0 25 21 1 6 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:224459 > Atranone R > 2 > methyl (1R,4R,5S,7S,8R,9R,10E,12S,14S)-5,12-dihydroxy-1,4,7,11-tetramethyl-17-oxo-15-propan-2-yl-6,18-dioxatricyclo[12.4.0.05,9]octadeca-10,15-diene-8-carboxylate > C25H38O7 > 450.572 > 450.26175 > 0 > O=C1O[C@]2([C@@H](C[C@H](O)C(=C[C@H]3[C@]([C@@H](CC2)C)(O[C@@H](C)[C@@H]3C(=O)OC)O)C)C(=C1)C(C)C)C > InChI=1S/C25H38O7/c1-13(2)17-11-21(27)32-24(6)9-8-15(4)25(29)19(10-14(3)20(26)12-18(17)24)22(16(5)31-25)23(28)30-7/h10-11,13,15-16,18-20,22,26,29H,8-9,12H2,1-7H3/b14-10+/t15-,16+,18+,19-,20+,22+,24-,25+/m1/s1 > MOAZJFYORXTOMH-CDWSGVRCSA-N $$$$