CDK 9/10/12,15:49 52 53 0 0 0 0 0 0 0 0999 V2000 0.7080 -11.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 -12.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -11.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -13.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -10.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -10.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -9.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -11.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -9.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 -9.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -12.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -11.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -13.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -14.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 -14.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -11.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -14.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -14.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -14.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -12.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 -9.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8419 -9.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -9.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6989 -9.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 -9.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -9.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2771 -9.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -11.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -9.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -10.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -9.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -9.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 -9.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2704 -9.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -8.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 -13.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -9.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -9.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -9.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 -11.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -15.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -14.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4111 -9.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 -10.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 -10.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8419 -10.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -10.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -10.1200 0.0000 H 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 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 1 14 1 6 0 0 0 2 15 1 6 0 0 0 5 16 1 1 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 19 2 0 0 0 0 21 17 2 0 0 0 0 22 18 2 0 0 0 0 23 30 2 0 0 0 0 24 29 2 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 34 1 0 0 0 0 28 38 1 0 0 0 0 29 37 1 0 0 0 0 30 36 1 0 0 0 0 6 31 1 1 0 0 0 8 32 1 1 0 0 0 11 33 1 6 0 0 0 34 32 1 0 0 0 0 12 35 1 1 0 0 0 36 42 1 0 0 0 0 37 41 1 0 0 0 0 38 43 1 0 0 0 0 39 35 1 0 0 0 0 13 40 1 6 0 0 0 41 23 1 0 0 0 0 42 25 1 0 0 0 0 43 24 1 0 0 0 0 44 18 1 0 0 0 0 45 19 1 0 0 0 0 46 17 1 0 0 0 0 47 26 1 0 0 0 0 48 26 1 0 0 0 0 49 23 1 0 0 0 0 50 24 1 0 0 0 0 51 25 1 0 0 0 0 3 52 1 1 0 0 0 13 9 1 0 0 0 0 11 12 1 0 0 0 0 M END > CHEBI:67816 > 6'-de-O-acetylcupacinoside > A natural product found in Cupania cinerea. > 2 > (2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C38H60O13 > 724.87520 > 724.40339 > 0 > [H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C > InChI=1S/C38H60O13/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-18-25(5)19-20-45-37-34(32(44)31(43)30(21-39)50-37)51-38-36(49-29(9)42)35(48-28(8)41)33(26(6)46-38)47-27(7)40/h13,15,17,19,26,30-39,43-44H,10-12,14,16,18,20-21H2,1-9H3/b23-15+,24-17+,25-19+/t26-,30+,31+,32-,33-,34+,35+,36+,37+,38-/m0/s1 > PGXNHZIZPQGRHQ-QPBQINIHSA-N > 21438586 $$$$