ChEBI 37 43 0 0 1 0 0 0 0 0 1 V2000 8.7559 -7.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 -7.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4214 -7.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -6.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 -7.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 -7.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 -8.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 -6.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0834 -7.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4145 -6.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0869 -6.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 -5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7903 -7.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4283 -6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 -8.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7455 -8.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 -6.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7352 -7.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 -5.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7903 -8.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 -7.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3455 -7.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8007 -4.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -4.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 -8.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 -7.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 -6.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1766 -6.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -4.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 -4.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3834 -9.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2214 -9.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -6.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 -5.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -7.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7903 -9.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3421 -7.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 6 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 2 0 0 0 0 9 17 1 0 0 0 0 9 18 2 0 0 0 0 10 19 1 6 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 2 0 0 0 0 3 5 1 1 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 15 20 1 0 0 0 0 25 26 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 6 35 1 6 0 0 0 20 36 1 6 0 0 0 21 37 1 6 0 0 0 M END > CHEBI:16226 > limonin > 3 > CHEBI:6467; CHEBI:14509; CHEBI:14511; CHEBI:25042 > Obaculactone; Limonoic acid, di-delta-lactone; limonoic acid 3,19:16,17-dilactone; Limonoate D-ring-lactone; limonin; Limonin; Evodin; Dictamnolactone; Citrolimonin; 7,16-Dioxo-7,16-dideoxylimondiol > (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione > Evodia fruit > C26H30O8 > 470.51160 > 470.19407 > 0 > [H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1 > InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 > KBDSLGBFQAGHBE-MSGMIQHVSA-N > 1180-71-8 > 1180-71-8 > C03514 > D00173 > C00003719 > Limonin > IND44319571 > 19782062; 21338095; 22907263; 22999474 $$$$