CDK 9/10/12,15:49 55 56 0 0 0 0 0 0 0 0999 V2000 1.1002 -2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 -3.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 -1.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -3.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -2.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7503 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7503 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -3.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 -1.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 -3.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -4.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 -4.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 -2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 -4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 1.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 -3.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 -4.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -4.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 2.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2266 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3645 0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1002 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8013 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6518 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 -3.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9392 0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 -4.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 -1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 -5.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0729 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7897 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3718 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 -0.5001 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 22 1 0 0 0 0 12 21 1 1 0 0 0 22 21 1 0 0 0 0 23 18 2 0 0 0 0 24 19 2 0 0 0 0 25 17 2 0 0 0 0 26 20 2 0 0 0 0 27 33 2 0 0 0 0 28 31 2 0 0 0 0 29 34 2 0 0 0 0 30 32 2 0 0 0 0 31 38 1 0 0 0 0 32 41 1 0 0 0 0 33 40 1 0 0 0 0 34 39 1 0 0 0 0 6 35 1 1 0 0 0 8 36 1 1 0 0 0 11 37 1 6 0 0 0 38 36 1 0 0 0 0 39 45 1 0 0 0 0 40 44 1 0 0 0 0 41 43 1 0 0 0 0 13 42 1 6 0 0 0 43 27 1 0 0 0 0 44 29 1 0 0 0 0 45 28 1 0 0 0 0 46 17 1 0 0 0 0 47 18 1 0 0 0 0 48 19 1 0 0 0 0 49 20 1 0 0 0 0 50 30 1 0 0 0 0 51 30 1 0 0 0 0 52 29 1 0 0 0 0 53 27 1 0 0 0 0 54 28 1 0 0 0 0 3 55 1 1 0 0 0 13 9 1 0 0 0 0 11 12 1 0 0 0 0 M END > CHEBI:67815 > cupacinoside > A natural product found in Cupania cinerea. > 2 > (2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-yl 6-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C40H62O14 > 766.91190 > 766.41396 > 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](COC(C)=O)O[C@H]1OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C > InChI=1S/C40H62O14/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-47-39-36(34(46)33(45)32(53-39)22-48-28(7)41)54-40-38(52-31(10)44)37(51-30(9)43)35(27(6)49-40)50-29(8)42/h14,16,18,20,27,32-40,45-46H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,32+,33+,34-,35-,36+,37+,38+,39+,40-/m0/s1 > WIVIEKSHGBRJOH-UZZLBKCXSA-N > 21438586 $$$$