CDK 1030232203 30 33 0 0 0 0 0 0 0 0999 V2000 0.7144 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 -0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -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 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 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 0.7144 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 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 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 O 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 4 2 1 6 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 4 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 6 11 1 6 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 7 14 1 6 0 0 0 8 15 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 18 1 1 0 0 0 12 19 1 0 0 0 0 20 13 1 0 0 0 0 19 21 2 0 0 0 0 22 19 1 6 0 0 0 20 23 1 0 0 0 0 20 24 1 6 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 2 0 0 0 0 6 8 1 0 0 0 0 13 17 1 6 0 0 0 20 22 1 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:227712 > Terreustoxin G > 2 > (2S,4aR,4bS,5R,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-1,4,6,8-tetrone > C24H32O6 > 416.514 > 416.21989 > 0 > O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@@H](O)C(=O)[C@@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C > InChI=1S/C24H32O6/c1-11-10-13-22(5)9-8-14(25)21(3,4)16(22)15(26)19(28)24(13,7)17-20(29)30-12(2)18(27)23(11,17)6/h12-13,16-17,19,28H,1,8-10H2,2-7H3/t12-,13-,16+,17-,19-,22-,23+,24-/m0/s1 > OJCUHOMXXINHDN-YMFBSIIISA-N $$$$