CDK 1030232202 36 40 0 0 0 0 0 0 0 0999 V2000 0.6913 1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 2.0946 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 2.8109 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 2.8091 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 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 3.5235 0.0000 C 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 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 2.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 3.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 4.2380 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 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 3.8011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1080 4.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 3.3885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8616 4.6261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2906 3.8011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5762 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 2.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 5.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 5.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 3.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 4.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 2.5635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8301 3.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 4.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 2.1510 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 21 16 1 1 0 0 0 17 22 1 0 0 0 0 23 21 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 6 0 0 0 24 28 1 0 0 0 0 24 29 1 1 0 0 0 25 30 1 0 0 0 0 25 31 1 6 0 0 0 26 32 1 0 0 0 0 33 30 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 33 36 1 1 0 0 0 6 7 1 0 0 0 0 12 17 1 0 0 0 0 21 22 1 0 0 0 0 28 31 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:218482 > 2-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid > 2 > 2-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid > C29H41NO6 > 499.648 > 499.29339 > 0 > O=C1N(C(C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2O[C@@]4([C@]5([C@@H](C([C@@H](O)CC5)(C)C)CC[C@@H]4C)C)C3 > InChI=1S/C29H41NO6/c1-15(2)11-20(26(34)35)30-14-19-17(25(30)33)12-21(31)18-13-29(36-24(18)19)16(3)7-8-22-27(4,5)23(32)9-10-28(22,29)6/h12,15-16,20,22-23,31-32H,7-11,13-14H2,1-6H3,(H,34,35)/t16-,20?,22+,23-,28+,29-/m0/s1 > JDHPPXKJMASBLQ-HTKMKVDHSA-N $$$$