HMDB0301782 RDKit 3D 2-Methylthio-N6-(delta2-isopentenyl)adenosine 49 51 0 0 0 0 0 0 0 0999 V2000 -0.1921 -2.4102 -3.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -0.6797 -2.9982 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.6051 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.8372 -0.5529 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 -0.7901 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 -1.0439 1.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -1.3480 0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 -0.2510 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 0.3235 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -0.1277 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 1.4085 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.4955 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -0.3714 2.8305 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 -0.0633 3.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 0.0102 1.8176 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 0.3130 1.5489 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6350 -0.5023 0.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 0.1439 -0.1376 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3384 0.1237 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3228 0.7781 -2.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 1.5819 0.2922 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7005 1.7910 1.1963 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 1.7226 0.9968 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3115 2.6857 1.9739 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 -0.2525 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 -0.3207 -0.4618 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -2.5486 -3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 -3.1074 -2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -2.6772 -4.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -1.0107 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -1.6025 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 -2.2596 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.0650 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0297 -0.0589 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4221 0.4252 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7198 -1.1977 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 1.7563 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 2.2892 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 1.0725 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 0.0898 3.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 0.1676 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6056 -0.3125 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2637 -0.9134 -2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 0.6324 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1241 0.2192 -2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6906 2.2977 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0047 0.8890 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 1.8523 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1886 3.1489 1.9554 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 1 0 7 8 1 0 8 9 2 3 9 10 1 0 9 11 1 0 5 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 15 25 1 0 25 26 2 0 26 3 1 0 25 12 1 0 23 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 11 39 1 0 14 40 1 0 16 41 1 1 18 42 1 6 19 43 1 0 19 44 1 0 20 45 1 0 21 46 1 6 22 47 1 0 23 48 1 6 24 49 1 0 M END