HMDB0040383 RDKit 3D (±)-Pandamarine 48 50 0 0 0 0 0 0 0 0999 V2000 6.5205 -0.4483 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 0.0437 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -0.0551 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 0.5196 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 0.5925 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 0.0434 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 1.0957 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 0.5043 1.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -0.5588 1.2225 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -1.0729 2.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1157 -2.5383 2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 -2.6754 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -1.3531 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 -0.3280 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.9889 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 1.5128 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 2.8623 -1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 0.5900 -1.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 0.8169 -3.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1986 -0.5417 -1.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2383 0.9995 -2.3351 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 0.7133 -1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6672 0.9534 -2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -1.5587 0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 -0.2815 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4627 0.0711 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -0.5109 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 1.0592 -2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -0.7305 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -0.4509 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 1.6207 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 1.8546 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 1.3074 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 0.1879 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 -0.9395 3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -0.5006 2.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -3.0453 3.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -3.0135 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -2.9791 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 -3.4158 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 -1.5058 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0728 -0.9463 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 1.4491 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 2.7102 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 3.2742 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 3.5498 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -1.3402 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 1.4699 -3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 4 21 1 0 21 22 1 0 22 23 2 0 22 2 1 0 14 9 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 20 47 1 0 21 48 1 0 M END