HMDB0038706 RDKit 3D Perilloside A 48 49 0 0 0 0 0 0 0 0999 V2000 5.8294 1.2837 0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.4434 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 -0.2699 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9816 0.1929 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 1.1233 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 0.8040 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -0.4837 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 -0.8936 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 0.2421 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -0.0075 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 0.6141 0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 0.3258 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -0.8277 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 -0.5114 2.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8379 0.0692 -0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 -1.2783 -1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 0.9193 -1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 2.2302 -1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5881 0.4464 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 1.4109 -1.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 -1.4491 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 -1.2305 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 1.4752 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1127 1.8214 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -1.3484 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 0.1155 -1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 -0.1229 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 0.4861 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 2.1810 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 0.9706 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.5533 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 -1.6571 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 -1.3861 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 -1.1018 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 1.2383 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 -1.7771 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 -0.9894 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -1.3102 3.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8937 0.3904 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 -1.5506 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 0.9284 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 2.4496 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 -0.4408 -2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 2.2677 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -2.5040 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 -1.3764 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 -1.6866 -1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4502 -1.7798 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 22 4 1 0 19 10 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 M END