24121299 CDK 1019211303 49 57 0 0 0 0 0 0 0 0999 V2000 8.5881 -1.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5335 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 1.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 -1.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1144 0.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 2.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8636 0.2982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1492 0.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1490 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 0.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3288 0.2926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1492 1.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3354 -0.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8504 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 1.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5912 -0.9964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8636 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 1.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1505 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1398 0.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 1.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3224 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3418 -1.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0076 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8325 2.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9086 -1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3918 -1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4529 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1346 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9684 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 -3.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5227 1.9735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8066 1.5639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5163 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 0.7389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1826 1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1547 2.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 1 40 1 0 0 0 0 2 26 1 0 0 0 0 2 34 1 0 0 0 0 28 3 1 6 0 0 0 3 41 1 0 0 0 0 4 34 1 0 0 0 0 4 39 1 0 0 0 0 5 36 1 0 0 0 0 5 38 1 0 0 0 0 6 41 1 0 0 0 0 6 46 1 0 0 0 0 7 40 2 0 0 0 0 44 8 1 1 0 0 0 45 9 1 6 0 0 0 47 10 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 6 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 48 1 6 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 29 1 1 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 49 1 1 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 30 1 6 0 0 0 18 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 23 28 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 31 35 1 0 0 0 0 31 37 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 45 47 1 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:181569 > [(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate > 2 > [(1'R,3'R,4'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate > C37H56O10 > 660.845 > 660.38735 > 0 > O([C@H]1[C@]2([C@]([C@]3([C@]4([C@]5(C4)[C@@](CC3)(C([C@@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)CC5)(C)C)[H])C1)[H])(CC7OC8(OCC9(OC89)C)CC(C27)C)C)C)C(=O)C > InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18?,20-,21?,22+,23+,24+,25-,26?,27+,28-,29?,30?,32+,33?,34-,35-,36+,37?/m1/s1 > GCMGJWLOGKSUGX-IFPHGTFESA-N $$$$