Marvin 07091016272D 38 41 0 0 1 0 999 V2000 11.4363 -6.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7225 -6.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1577 -6.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4363 -5.4745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0087 -6.3116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8752 -6.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 -5.0559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7113 -5.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4326 -4.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 -6.7189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9975 -5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1327 -7.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8715 -5.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5816 -6.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 -4.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 -7.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5252 -6.4723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7426 -6.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4850 -3.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 -3.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 -7.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 -7.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7391 -2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5427 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7814 -8.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 -8.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0463 -7.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 -8.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 -6.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3465 -8.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 -9.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1446 -8.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7225 -7.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3324 -5.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7546 -5.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7546 -4.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0441 -5.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 6 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 1 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 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 7 13 1 0 0 0 0 8 11 1 0 0 0 0 12 16 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 5 28 1 6 0 0 0 16 29 1 6 0 0 0 17 30 1 6 0 0 0 12 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 2 34 1 0 0 0 0 18 35 1 0 0 0 0 23 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M END > CHEBI:15787 > deoxylimonoic acid D-ring-lactone > 3 > CHEBI:23633; CHEBI:4416; CHEBI:14118 > Deoxylimononic acid D-ring-lactone > 2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetic acid > C26H34O9 > 490.54280 > 490.22028 > 0 > [H][C@@]1(CC(O)=O)OC(C)(C)[C@]([H])(CC(O)=O)[C@@]1(CO)[C@@]1([H])CC[C@@]2(C)[C@@H](OC(=O)CC2=C1C)c1ccoc1 > InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1 > BQKCYOXFBVKBDA-DYNITIQCSA-N > C04251 $$$$