HMDB0039200 RDKit 3D Punicacortein A 67 71 0 0 0 0 0 0 0 0999 V2000 2.9267 0.8751 1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 0.5869 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 0.3736 -0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 0.4902 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 1.6891 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 1.3141 -2.7188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -0.6841 -1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -1.9132 -0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -1.0547 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -0.0426 -1.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9153 0.8488 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 1.7913 -0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 1.0823 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 2.0882 -2.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 2.4388 -2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4509 3.4623 -3.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 1.8054 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 2.1582 -1.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7466 0.7881 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8115 0.2078 -0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 0.4640 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -0.6620 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3965 -0.4836 1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 0.3692 2.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6897 -1.1278 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 -1.0155 3.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -1.9685 2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 -2.6565 3.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -2.1215 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0945 -1.5293 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 -1.7653 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -1.4751 -2.7374 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -2.6222 -1.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 -1.9143 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 -2.7655 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.6657 1.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 0.4897 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6341 0.7135 2.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9759 0.6331 2.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4069 0.8689 4.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8943 0.3238 1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2311 0.2501 2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 0.0917 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4028 -0.2201 -0.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 0.1773 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2972 0.7432 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 1.6982 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 2.6242 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 1.4851 -2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -0.6293 -2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 -2.5791 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -1.6121 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 2.7013 -2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 3.9575 -3.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6292 2.8872 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7599 0.4891 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 0.4861 2.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 -0.4635 4.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 -2.5420 4.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -0.9828 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -3.7951 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 -3.5426 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 0.9633 3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3809 0.8154 4.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9304 0.0155 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 -0.4075 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.0065 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 2 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 34 9 1 0 45 37 1 0 21 13 1 0 30 22 1 0 35 29 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 14 53 1 0 16 54 1 0 18 55 1 0 20 56 1 0 24 57 1 0 26 58 1 0 28 59 1 0 34 60 1 0 35 61 1 0 36 62 1 0 38 63 1 0 40 64 1 0 42 65 1 0 44 66 1 0 45 67 1 0 M END