CDK 1030232201 40 43 0 0 0 0 0 0 0 0999 V2000 7.8594 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2883 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0029 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0029 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8888 -2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0499 -2.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 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 12.0449 -1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7093 -2.5433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1361 -2.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 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 12.8519 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -3.2577 0.0000 O 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 12.9468 -3.2577 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 5 3 1 6 0 0 0 6 4 1 0 0 0 0 4 7 1 6 0 0 0 8 5 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 8 12 1 1 0 0 0 13 8 1 0 0 0 0 14 8 1 0 0 0 0 9 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 6 0 0 0 21 14 1 0 0 0 0 16 22 1 0 0 0 0 18 23 1 6 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 1 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 24 29 2 0 0 0 0 30 25 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 1 0 0 0 33 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 14 12 1 1 0 0 0 15 18 1 0 0 0 0 21 24 1 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:210742 > Berkleasmin E > 2 > [(1R,3S,4S,6S,10R,11S,14R)-4,6-dimethoxy-7,10,11-trimethyl-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradec-7-en-14-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate > C32H52O8 > 564.760 > 564.36622 > 0 > O=C(O[C@H]1[C@@]23O[C@@H]2[C@]4(O[C@H](OC)C(=C4C[C@@]3([C@@H](C)CC1)C)C)OC)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C > InChI=1S/C32H52O8/c1-9-10-11-12-13-23(18-33)16-19(2)26(34)22(5)27(35)38-25-15-14-20(3)30(6)17-24-21(4)28(36-7)39-32(24,37-8)29-31(25,30)40-29/h16,20,22-23,25-26,28-29,33-34H,9-15,17-18H2,1-8H3/b19-16+/t20-,22+,23?,25+,26+,28-,29-,30+,31+,32-/m0/s1 > OMFJTIUQBUXYGZ-ZMPHMXKPSA-N $$$$