CDK 1030232203 35 39 0 0 0 0 0 0 0 0999 V2000 1.1596 5.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 5.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 6.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 4.6742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1361 6.1815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2855 4.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1294 3.9205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6211 5.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 4.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 4.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 3.8342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6144 3.2530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6445 4.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4415 5.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5909 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 3.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 4.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 2.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1529 2.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 2.4131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7637 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4282 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4682 -0.3356 0.0000 C 0 0 2 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 1.6397 -1.1425 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 4 2 1 1 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 1 0 0 0 6 10 1 0 0 0 0 6 11 1 1 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 7 14 1 1 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 1 0 0 0 20 23 1 0 0 0 0 20 24 1 1 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 1 0 0 0 0 27 31 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 32 34 1 6 0 0 0 33 35 1 1 0 0 0 6 8 1 0 0 0 0 13 17 1 1 0 0 0 20 22 1 0 0 0 0 26 27 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:227805 > Spiroterreusnoid C > 2 > (2'S,4S,4'aR,4'bS,5S,5'S,6'aS,10'aS,10'bS,12'aS)-5'-hydroxy-2',4,4'b,5,7',7',10'a,12'a-octamethyl-12'-methylidenespiro[1,3-dioxolane-2,8'-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene]-1',4',6'-trione > C28H40O7 > 488.621 > 488.27740 > 0 > O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@H](O)C(=O)[C@@H]4C(C5(O[C@@H](C)[C@@H](O5)C)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C > InChI=1S/C28H40O7/c1-13-12-17-25(7)10-11-28(34-14(2)15(3)35-28)24(5,6)19(25)18(29)22(31)27(17,9)20-23(32)33-16(4)21(30)26(13,20)8/h14-17,19-20,22,31H,1,10-12H2,2-9H3/t14-,15-,16-,17-,19+,20-,22+,25-,26+,27-/m0/s1 > HOTGAJUCOXYBKH-FZBNHVRJSA-N $$$$