CDK 1030232201 37 39 0 0 0 0 0 0 0 0999 V2000 6.8008 -2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1181 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9391 -3.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4403 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2971 -0.4999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7600 -4.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6218 -3.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1841 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8280 0.1628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6327 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2612 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 0.2775 0.0000 C 0 0 0 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 6.9539 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4465 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4532 -1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 -6.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4638 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3236 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 -0.6723 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 10.7586 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 O 0 0 0 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 3.5724 0.0000 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 2.1435 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 1 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 0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 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 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 4 6 2 0 0 0 0 7 5 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 15 10 1 0 0 0 0 10 16 1 6 0 0 0 11 17 1 6 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 22 14 1 0 0 0 0 15 23 1 6 0 0 0 15 24 1 0 0 0 0 18 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 32 1 0 0 0 0 33 34 1 1 0 0 0 35 33 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 22 17 1 1 0 0 0 19 25 1 0 0 0 0 22 24 1 0 0 0 0 M END > CHEBI:216456 > 12,13-Deoxytrichoverrin B > 2 > [(1S,2R,7R,9R,11R)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2E,4E,6R,7R)-6,7-dihydroxyocta-2,4-dienoate > C29H40O8 > 516.631 > 516.27232 > 0 > O=C(OC[C@@]12[C@@]3(C(=C)[C@H](O[C@@H]1C=C(C)CC2)C[C@H]3OC(=O)/C=C/C=C/[C@@H](O)[C@H](O)C)C)/C=C(/CCO)\C > InChI=1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7+,19-15+/t21-,22-,23-,24-,25-,28-,29-/m1/s1 > DQMXCXZEZVSOMG-DMELOKKLSA-N $$$$