Mrv0541 03131512372D 45 49 0 0 0 0 999 V2000 7.4333 -8.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -8.1103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7203 -8.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 -6.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7285 -7.6998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4412 -6.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -6.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1548 -7.6998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8664 -8.1113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5775 -7.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5764 -6.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8643 -6.4570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8655 -5.6339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5283 -5.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1960 -5.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 -4.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2742 -4.3666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5275 -3.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8615 -3.0929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1925 -3.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -8.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 -7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -8.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 -6.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -7.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 -8.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -8.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 -8.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 -9.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 -9.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2600 -10.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8663 -8.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 -9.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 -10.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2923 -8.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 -10.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 -6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5726 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6199 -4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0992 -4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8618 -2.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -6.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4333 -7.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -6.0417 0.0000 H 0 0 0 0 0 0 0 0 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 23 25 1 0 0 0 0 10 11 1 0 0 0 0 25 26 1 0 0 0 0 11 12 1 0 0 0 0 23 27 1 0 0 0 0 13 14 1 0 0 0 0 5 2 1 0 0 0 0 8 28 1 6 0 0 0 2 8 1 0 0 0 0 28 29 1 0 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 9 32 1 6 0 0 0 15 13 1 0 0 0 0 32 33 1 0 0 0 0 12 13 1 0 0 0 0 33 34 2 0 0 0 0 16 17 1 0 0 0 0 33 35 1 0 0 0 0 7 8 1 0 0 0 0 30 36 1 0 0 0 0 2 3 1 6 0 0 0 11 37 1 6 0 0 0 4 5 1 0 0 0 0 12 38 1 6 0 0 0 1 3 1 0 0 0 0 16 39 1 1 0 0 0 17 18 1 0 0 0 0 17 40 1 1 0 0 0 18 19 1 0 0 0 0 19 41 1 6 0 0 0 19 20 1 0 0 0 0 4 42 1 6 0 0 0 20 16 1 0 0 0 0 41 43 1 0 0 0 0 7 44 1 1 0 0 0 2 1 1 0 0 0 0 13 45 1 6 0 0 0 M END > CHEBI:67472 > 15-epi-lupulin B > A diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity. > 3 > (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-[(2S,3aS,5S,6aR)-5-methoxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate > C30H46O11 > 582.67960 > 582.30401 > 0 > CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C[C@@H](OC)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1 > InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3/t15?,16-,19+,20-,21-,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1 > UEZOFWAZJUOMCN-NTWWNSDMSA-N > 10136512 > 21539300 $$$$