CDK 1030232201 30 33 0 0 0 0 0 0 0 0999 V2000 5.7065 2.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 1.3617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1335 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 0.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 0.6265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4732 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5828 0.5834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2348 2.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 -0.1437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0550 1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 0.7969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3693 -0.2136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0612 -0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 2.1783 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 5.1044 -1.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 0.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 -1.1541 0.0000 O 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 7.5097 -1.3676 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 1.4290 -0.4125 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 0.0000 -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 4 2 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 6 0 0 0 8 4 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 11 5 1 1 0 0 0 6 12 2 0 0 0 0 8 13 1 1 0 0 0 10 14 2 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 6 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 21 15 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 21 25 1 6 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 8 11 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 1 0 0 0 16 21 1 0 0 0 0 M END > CHEBI:211205 > Coniellin H > 2 > methyl (1S,3S,4S,5R,12R,13S,14R)-7-ormyl-5-hydroxy-5,10-dimethyl-2,6-dioxo-13-pentyl-11-oxatetracyclo[6.5.1.04,14.012,14]tetradeca-7,9-diene-3-carboxylate > C23H28O7 > 416.470 > 416.18350 > 0 > O=C1C(=C2C=C(O[C@H]3[C@]24[C@@H](C([C@H]([C@@H]4[C@]1(O)C)C(=O)OC)=O)[C@@H]3CCCCC)C)C=O > InChI=1S/C23H28O7/c1-5-6-7-8-12-16-17(25)15(21(27)29-4)18-22(3,28)19(26)13(10-24)14-9-11(2)30-20(12)23(14,16)18/h9-10,12,15-16,18,20,28H,5-8H2,1-4H3/t12-,15+,16+,18+,20+,22+,23-/m0/s1 > XAHOFHHJQNUHFY-KXIWCRNYSA-N $$$$