Ketcher 06161616282D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 7.4163 -3.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4168 -3.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9326 -4.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 -5.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 -5.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 -6.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 -5.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0569 -5.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0606 -6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9566 -5.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1757 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5494 -3.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8548 -2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8049 -2.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 -1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 -0.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2369 -2.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9285 -4.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6047 -3.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5152 -3.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9043 -4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 -3.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9039 -2.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3911 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 -1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 19 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 7 19 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 18 1 0 0 0 13 14 1 1 0 0 13 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 1 6 0 0 12 21 1 1 0 0 19 22 1 1 0 0 23 24 2 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 26 27 2 0 0 0 26 1 1 0 0 0 M END > CHEBI:90278 > 11beta,13-dihydro-8-deoxylactucin 15-oxalate > A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11β,13-dihydro-8-deoxylactucin. Found in chicory. > 3 > 15-oxalyl-11beta,13-dihydro-8-deoxylactucin; 11,13-dihydro-8-deoxylactucin > {[(3S,3aS,9aS,9bS)-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methoxy}(oxo)acetic acid > C17H18O7 > 334.321 > 334.10525 > 0 > O(CC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O > InChI=1S/C17H18O7/c1-7-3-4-10-8(2)16(21)24-14(10)13-9(5-11(18)12(7)13)6-23-17(22)15(19)20/h5,8,10,13-14H,3-4,6H2,1-2H3,(H,19,20)/t8-,10-,13-,14-/m0/s1 > DLXJJCZRGOSZAZ-LMVZTGKYSA-N $$$$