266501 CDK 0407221459 52 59 0 0 0 0 0 0 0 0999 V2000 4.6185 4.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 3.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 0.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3506 -0.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3506 -2.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 -2.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -2.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 -2.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -4.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 -5.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 -4.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 -2.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 3.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 3.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9383 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 4.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 1.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 4.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5093 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2255 1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 3.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4234 2.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 4.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 3.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 2.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9614 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4303 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 3.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 0.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 5.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 4.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 5.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 5.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6361 -0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6361 -1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 -1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7782 -3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7782 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 -4.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 -3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6348 -2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 2 38 1 0 0 0 0 3 35 1 0 0 0 0 3 41 1 0 0 0 0 4 41 1 0 0 0 0 4 44 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 7 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 47 1 0 0 0 0 9 50 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 30 1 0 0 0 0 20 32 1 0 0 0 0 22 23 1 0 0 0 0 24 27 1 0 0 0 0 24 34 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 27 36 1 0 0 0 0 30 33 1 0 0 0 0 31 35 1 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 51 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M END > CHEBI:190842 > Desglucodesrhamnoparillin > 2 > 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol > C39H64O13 > 740.928 > 740.43469 > 0 > O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C > InChI=1S/C39H64O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h18-36,40-46H,5-17H2,1-4H3 > XERVTTUAMKCJIM-UHFFFAOYSA-N $$$$