HMDB0036348 RDKit 3D Vitisin A 65 69 0 0 0 0 0 0 0 0999 V2000 5.4782 1.3714 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 0.0391 -2.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -0.5287 -1.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 0.2124 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 -0.2419 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 0.5567 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 1.0667 -2.6167 O 0 0 0 0 0 3 0 0 0 0 0 0 -0.2080 1.8030 -3.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 2.2649 -4.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 3.0521 -4.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 3.5339 -5.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 3.3889 -3.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 2.9152 -2.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 2.1175 -2.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 1.6388 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 0.8259 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 0.4016 0.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.6437 1.6018 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7512 -0.5875 1.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 -1.6033 2.5113 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7491 -1.3944 2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -2.3602 3.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 -1.5968 3.9069 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1878 -2.6072 4.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 -1.6596 3.8221 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3073 -1.5616 5.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 -0.4724 2.9770 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6354 -0.2944 2.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 2.0313 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 2.7932 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2082 3.1938 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 2.8700 1.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 4.0049 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 3.2538 -1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -1.5160 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -2.3025 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -3.5729 -0.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -4.1901 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5115 -1.7888 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 -2.5495 -1.5172 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 1.8171 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 1.5347 -3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 2.0002 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 1.2329 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 1.9896 -5.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 2.9527 -6.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 4.0129 -4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 -1.6595 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 -2.6196 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 -0.3840 3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 -1.3604 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 -2.7043 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 -0.6068 4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -2.2963 5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 -2.5919 3.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 -2.0290 5.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 0.4205 3.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 0.1312 3.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 1.7379 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3921 4.0503 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 -1.9599 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 -4.7320 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -3.6270 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -5.0367 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 -2.1360 -1.9872 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 15 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 30 34 1 0 5 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 36 39 2 0 39 40 1 0 39 3 1 0 16 6 1 0 27 18 1 0 14 8 1 0 34 13 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 18 48 1 6 20 49 1 6 21 50 1 0 21 51 1 0 22 52 1 0 23 53 1 1 24 54 1 0 25 55 1 6 26 56 1 0 27 57 1 1 28 58 1 0 29 59 1 0 33 60 1 0 35 61 1 0 38 62 1 0 38 63 1 0 38 64 1 0 40 65 1 0 M CHG 1 7 1 M END