Mrv2104 12222320042D 53 59 0 0 1 0 999 V2000 -0.1362 -0.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 0.6343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5045 1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 0.9530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7517 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 0.4184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9213 -0.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -0.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5251 -0.6354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0990 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 -2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 -1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 -2.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -2.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 -0.7568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1972 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 -0.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8205 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 0.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 -0.3621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4437 0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3234 -0.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5118 -0.9909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0458 -1.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0629 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3473 -2.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 -1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 -3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -3.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -3.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -2.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 8 5 1 0 0 0 0 8 9 1 6 0 0 0 10 8 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 20 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 3 25 1 0 0 0 0 10 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 39 38 1 0 0 0 0 32 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 31 45 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 27 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 28 52 1 0 0 0 0 8 52 1 0 0 0 0 52 53 2 0 0 0 0 M END > NP0332282 > NP-MRD > [H][C@@]12C[C@]3([H])[C@H](OC)[C@@]4([H])C(=O)C5=C(O[C@@]14[C@@](C\C=C(/C)C(O)=O)(OC2(C)C)C3=O)C(=C1OC(C)(C)[C@@]2([H])CCC(C)=C[C@@]2([H])C1=C5O)C(C)(C)C=C > InChI=1S/C39H48O9/c1-11-35(4,5)27-31-24(20-16-18(2)12-13-22(20)36(6,7)46-31)28(40)25-29(41)26-30(45-10)21-17-23-37(8,9)48-38(33(21)42,15-14-19(3)34(43)44)39(23,26)47-32(25)27/h11,14,16,20-23,26,30,40H,1,12-13,15,17H2,2-10H3,(H,43,44)/b19-14+/t20-,21-,22+,23+,26-,30+,38+,39?/m1/s1 > JOMHTDXJZCTLEI-ZAUWTNOKSA-N > C39H48O9 > 660.804 > 660.329833126 > 9 > 96 > 0.0 > 0 > 2 > 0 > 0 > (2E)-4-[(1S,2S,9S,14R,19R,20S,21R,23R)-16-hydroxy-20-methoxy-8,8,12,25,25-pentamethyl-5-(2-methylbut-3-en-2-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0^{2,19}.0^{2,23}.0^{4,17}.0^{6,15}.0^{9,14}]hexacosa-4(17),5,12,15-tetraen-23-yl]-2-methylbut-2-enoic acid > 6.803151451333334 > 1 > 7 > -1 > 8.398677108149935 > 3.482159209491163 > -3.8304244701843975 > 128.59 > 180.59700000000004 > 6 > 0 > (2E)-4-[(1S,2S,9S,14R,19R,20S,21R,23R)-16-hydroxy-20-methoxy-8,8,12,25,25-pentamethyl-5-(2-methylbut-3-en-2-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0^{2,19}.0^{2,23}.0^{4,17}.0^{6,15}.0^{9,14}]hexacosa-4(17),5,12,15-tetraen-23-yl]-2-methylbut-2-enoic acid > 0 > NP0332282 > Gambogefic acid D $$$$