37 42 0 0 1 0 0 0 0 0999 V2000 28.4885 -22.0537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2789 -22.7629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.7108 -22.7566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.4885 -20.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.4821 -23.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0694 -22.0727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2789 -24.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7135 -21.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6982 -19.9449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2599 -19.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4821 -19.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8788 -22.7629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0504 -20.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0694 -24.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4695 -24.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9204 -20.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6918 -18.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8788 -24.1561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5554 -22.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7584 -21.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5708 -17.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8063 -17.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5489 -24.5868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.7448 -23.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2451 -20.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3082 -20.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0016 -16.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3632 -16.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2950 -25.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5544 -26.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9720 -20.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2416 -18.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1330 -23.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8788 -25.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1108 -22.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8108 -23.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1007 -21.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 4 9 1 0 0 0 4 10 1 0 0 0 4 11 1 6 0 0 6 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 7 15 2 0 0 0 9 17 1 6 0 0 12 18 1 0 0 0 12 19 1 0 0 0 12 20 1 1 0 0 17 21 1 0 0 0 17 22 2 0 0 0 18 23 1 0 0 0 19 24 1 0 0 0 19 25 1 1 0 0 20 26 1 0 0 0 21 27 2 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 23 30 1 0 0 0 25 31 1 0 0 0 31 32 2 0 0 0 3 5 1 1 0 0 9 16 1 0 0 0 10 13 1 0 0 0 14 18 1 0 0 0 23 24 1 0 0 0 26 31 1 0 0 0 27 28 1 0 0 0 6 33 1 6 0 0 18 34 1 6 0 0 3 35 1 0 0 0 35 36 2 0 0 0 35 37 1 0 0 0 M END > CHEBI:80679 > Limonoate A-ring-lactone > 2 > C26H32O9 > 488.52690 > 488.20463 > 0 > CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]11O[C@@H]1C(O)=O > InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 > JQTDUZWQZNXSOU-MSGMIQHVSA-N > C16718 $$$$