HMDB0040121 RDKit 3D Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside 54 55 0 0 0 0 0 0 0 0999 V2000 0.9968 6.7800 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 5.3883 -0.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 4.5354 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 5.0151 0.0453 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 3.0990 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 2.2457 0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3899 0.8853 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -0.0369 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -0.7931 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 -2.0884 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5568 -2.7391 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8651 -2.9989 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 0.4404 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 -0.8837 0.9566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 1.2750 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 0.8836 0.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 -0.2830 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -0.6348 -0.7292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -1.9051 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -2.6320 -1.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -1.9700 -2.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3425 -1.7463 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 -0.7164 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0018 -1.2835 1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -2.3301 2.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 -0.0731 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 1.0684 1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 2.6039 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 7.4251 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 6.9941 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 6.9563 -1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 2.5840 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 0.4728 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 -0.7688 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 -0.2104 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -2.3791 -2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -2.4739 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4885 -3.8320 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -3.8964 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 -3.4520 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -2.5000 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -1.6296 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 -1.1802 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -2.4688 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 -2.6669 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 -3.6616 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -2.4601 -2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -2.6792 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8553 -0.5427 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9318 -1.0008 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -2.8128 2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 0.0273 2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 1.7503 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 3.2994 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 7 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 28 2 0 28 5 1 0 26 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 17 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 27 53 1 0 28 54 1 0 M END