Mrv1652306242120163D 69 71 0 0 0 0 999 V2000 -3.0084 0.6901 2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 0.7439 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 0.9327 0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 1.1105 0.1223 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6712 0.0137 -0.9074 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0149 0.2189 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0054 -0.6973 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1887 -0.1738 -2.0699 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3285 -0.0582 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8865 1.2140 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8833 1.4616 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3643 2.7648 0.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3833 0.4101 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 -0.8524 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8430 -1.0768 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4177 -2.3756 -0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8367 1.1002 -2.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 1.3749 -2.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 2.3884 -2.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 0.5708 2.5401 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5550 0.6375 1.4517 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9201 0.4784 2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 -0.4964 1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -1.4971 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.6124 2.2435 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0960 -0.5376 1.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4493 -0.6075 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 -0.7445 2.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4325 -0.5290 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7258 -0.5963 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 -0.5244 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0960 -0.6037 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0787 -0.5394 -1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7181 -0.3919 -2.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7076 -0.3254 -3.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -0.3072 -2.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4452 -0.3775 -1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 1.7239 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 0.2364 3.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8425 0.0593 2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 0.9736 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4546 2.0868 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 1.1182 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 0.0004 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 -0.9355 -0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8901 -1.6462 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4403 -0.8518 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4814 2.0361 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1497 3.0081 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1625 0.6121 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2758 -1.6517 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7657 -2.7098 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 1.3588 3.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.4271 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 1.6303 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 -0.1209 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 1.1841 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -2.1454 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 -1.0605 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5115 -2.1067 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 -1.5932 2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 0.2036 2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0676 -0.4125 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0138 -0.7146 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3404 -0.7192 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1345 -0.6044 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4769 -0.2194 -4.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1398 -0.1923 -3.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3989 -0.3069 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 18 6 1 0 0 0 0 37 31 1 0 0 0 0 15 9 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 3 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 6 0 0 0 10 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 16 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > NP0019416 > NP-MRD > [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C2=C([H])[C@]([H])(OC2=O)C2=C([H])C(O[H])=C([H])C([H])=C2O[H])\C([H])([H])[H])\C([H])([H])[H])C([H])=C1[H] > InChI=1S/C30H32O7/c1-20(5-3-7-21(2)19-36-29(34)16-11-22-9-12-24(31)13-10-22)6-4-8-23-17-28(37-30(23)35)26-18-25(32)14-15-27(26)33/h6-7,9-18,28,31-33H,3-5,8,19H2,1-2H3/b16-11+,20-6+,21-7+/t28-/m0/s1 > SAYBGICIUZRORX-WWMFTPNXSA-N > C30H32O7 > 504.579 > 504.21480337 > 5 > 69 > 56.7554301426923 > 0 > 3 > 0 > 0 > (2E,6E)-9-[(5S)-5-(2,5-dihydroxyphenyl)-2-oxo-2,5-dihydrofuran-3-yl]-2,6-dimethylnona-2,6-dien-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate > 5.76 > 6.878258411666668 > -5.65 > 1 > 3 > 0 > 9.654418204391487 > 9.054651398900026 > -5.901557954203004 > 113.29 > 144.77759999999998 > 12 > 0 > 1.13e-03 g/l > (2E,6E)-9-[(5S)-5-(2,5-dihydroxyphenyl)-2-oxo-5H-furan-3-yl]-2,6-dimethylnona-2,6-dien-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate > 0 > NP0019416 > Zizhine G $$$$