Mrv0541 11191313472D 44 49 0 0 0 0 999 V2000 12.0032 -9.1078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7878 -8.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 -9.1144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5784 -9.9397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0035 -9.9372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2742 -8.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 -8.6985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8636 -10.3515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2887 -10.3491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7902 -10.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2724 -9.5209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8592 -8.7014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0565 -8.4390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8939 -11.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -7.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0527 -9.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -9.9381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3171 -11.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 -7.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -9.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7221 -7.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -7.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2884 -7.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0032 -7.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5023 -6.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5047 -8.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 -6.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9913 -7.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7178 -7.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 -7.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 -8.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5779 -8.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1907 -7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2837 -10.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4097 -10.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 -6.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3846 -8.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7177 -6.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9150 -10.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8185 -9.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 -10.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2437 -9.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 -7.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 20 1 0 0 0 0 18 14 1 0 0 0 0 12 19 1 6 0 0 0 20 12 1 0 0 0 0 13 21 1 6 0 0 0 22 15 1 0 0 0 0 7 23 1 1 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 26 21 2 0 0 0 0 27 21 1 0 0 0 0 28 15 2 0 0 0 0 29 27 2 0 0 0 0 30 24 2 0 0 0 0 31 22 2 0 0 0 0 1 32 1 1 0 0 0 3 33 1 1 0 0 0 34 6 1 0 0 0 0 8 35 1 1 0 0 0 17 36 1 6 0 0 0 37 24 1 0 0 0 0 38 22 1 0 0 0 0 39 37 1 0 0 0 0 9 40 1 1 0 0 0 4 41 1 6 0 0 0 11 42 1 6 0 0 0 5 43 1 1 0 0 0 10 11 1 0 0 0 0 9 4 1 0 0 0 0 13 16 1 0 0 0 0 18 8 1 0 0 0 0 17 8 1 0 0 0 0 29 25 1 0 0 0 0 31 44 1 0 0 0 0 M END > CHEBI:67311 > 3-deacetylsalannin > A limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica. > 3 > (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate > C32H42O8 > 554.67110 > 554.28797 > 0 > COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3O)OC(=O)C(\C)=C\C > InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1 > MJNRBOGIPLCVIM-LJEOTECVSA-N > 1110-56-1 > 7675507 > 1110-56-1 > 21263200; 21381696 $$$$