Mrv0541 03131510052D 39 43 0 0 0 0 999 V2000 6.7211 -8.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -7.4782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0081 -7.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 -6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 -7.0677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7289 -5.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4416 -6.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4426 -7.0677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1542 -7.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8653 -7.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8642 -6.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1522 -5.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1533 -5.0018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8162 -4.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4839 -4.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7353 -3.7354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5621 -3.7345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8155 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 -2.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 -7.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5861 -7.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 -7.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -6.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4384 -7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 -8.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -9.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 -9.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1541 -8.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8651 -8.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 -9.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5803 -8.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 -9.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5793 -5.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 -5.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 -3.7343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 -3.7343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4333 -5.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -6.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 2 1 1 0 0 0 0 5 21 1 1 0 0 0 4 6 1 0 0 0 0 21 22 1 0 0 0 0 7 12 1 0 0 0 0 22 23 1 0 0 0 0 8 9 1 0 0 0 0 22 24 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 25 1 6 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 13 14 1 0 0 0 0 26 27 1 0 0 0 0 5 2 1 0 0 0 0 27 28 2 0 0 0 0 2 8 1 0 0 0 0 9 29 1 6 0 0 0 7 6 1 0 0 0 0 29 30 1 0 0 0 0 14 17 1 0 0 0 0 30 31 2 0 0 0 0 16 15 1 0 0 0 0 30 32 1 0 0 0 0 15 13 1 0 0 0 0 27 33 1 0 0 0 0 12 13 1 0 0 0 0 11 34 1 6 0 0 0 16 17 1 0 0 0 0 12 35 1 6 0 0 0 7 8 1 0 0 0 0 2 3 1 6 0 0 0 16 36 1 1 0 0 0 4 5 1 0 0 0 0 17 37 1 1 0 0 0 13 38 1 6 0 0 0 1 3 1 0 0 0 0 7 39 1 1 0 0 0 M END > CHEBI:67465 > 3-epi-14,15-dihydrocaryoptin > A diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity. > 3 > (1R,2S,4aR,5S,6R,8S,8aR)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxirane]-2,8-diyl diacetate > C26H38O9 > 494.57450 > 494.25158 > 0 > C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1 > InChI=1S/C26H38O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h14,18-23H,6-13H2,1-5H3/t14-,18-,19-,20+,21+,22+,23+,24+,25+,26-/m1/s1 > BUBXHOXEGBNWPX-WBTQUOTHSA-N > 4728548 > 21539300 $$$$