Mrv1652306242120163D 72 74 0 0 0 0 999 V2000 3.0804 -2.3313 3.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -1.2031 2.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -0.7774 1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -1.3573 1.8089 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2804 -0.4044 2.4797 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5109 0.8397 1.6677 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4523 1.7494 2.4695 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8718 2.0688 3.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 0.4593 0.3932 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5427 1.6389 -0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1933 1.4084 -1.7766 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4942 0.7266 -1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 1.2954 -2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7708 0.3756 -2.1148 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8335 0.8421 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1744 0.7911 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1554 1.2338 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4946 1.1880 -0.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8062 1.7400 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4583 1.7879 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 1.3468 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1653 1.4213 0.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -0.8416 -1.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -0.6415 -1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 -1.5325 -1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 -0.5088 1.7197 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3761 -1.2142 1.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 -2.2570 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9291 -2.7701 2.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 -2.9299 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -2.6991 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -1.6936 -1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0929 -1.0952 -2.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8084 -0.1875 -3.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5043 0.1939 -3.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 1.1287 -4.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5526 -0.3815 -2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8391 -1.3144 -1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 -3.2681 2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -2.3828 3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 -2.1631 3.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 0.0710 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 -1.5968 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.3536 2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 -0.9729 2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 -0.1658 3.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 1.3629 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 2.7074 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.2404 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 2.0940 3.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 0.0471 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -0.3071 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 2.3478 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6222 2.2446 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 0.8233 -2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 2.4288 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 2.3294 -2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 0.2008 -3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5028 0.4129 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0079 0.3514 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5276 2.0970 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1702 2.1820 1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 1.7859 1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 0.3475 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 0.0302 2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7126 -3.7725 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4859 -3.3355 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -1.3587 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5993 0.2441 -3.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 2.1231 -4.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -0.1073 -2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -1.7830 -1.0654 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 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 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 2 0 0 0 0 24 12 1 0 0 0 0 38 32 1 0 0 0 0 21 15 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 47 1 6 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 6 0 0 0 16 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 22 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 M END > NP0019419 > 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@]([H])(C([H])([H])O[H])C([H])([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])=C1[H] > InChI=1S/C30H34O8/c1-20(19-37-29(35)15-10-21-8-11-24(32)12-9-21)4-2-5-22(18-31)6-3-7-23-16-28(38-30(23)36)26-17-25(33)13-14-27(26)34/h4,8-17,22,28,31-34H,2-3,5-7,18-19H2,1H3/b15-10-,20-4+/t22-,28+/m0/s1 > VBEJCQMQUREPHX-VAKXOLGBSA-N > C30H34O8 > 522.594 > 522.225368055 > 6 > 72 > 56.58524682164693 > 0 > 4 > 0 > 0 > (2E,6R)-6-{3-[(5R)-5-(2,5-dihydroxyphenyl)-2-oxo-2,5-dihydrofuran-3-yl]propyl}-7-hydroxy-2-methylhept-2-en-1-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate > 4.95 > 5.925113006333334 > -5.63 > 1 > 3 > 0 > 9.654418666926182 > 9.054651771786418 > -1.5971523381834483 > 133.52 > 145.77929999999995 > 14 > 0 > 1.24e-03 g/l > (2E,6R)-6-{3-[(5R)-5-(2,5-dihydroxyphenyl)-2-oxo-5H-furan-3-yl]propyl}-7-hydroxy-2-methylhept-2-en-1-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate > 0 > NP0019419 > Zizhine J $$$$