HMDB0035419 RDKit 3D Pyranodelphinin B 59 63 0 0 0 0 0 0 0 0999 V2000 0.3310 4.3068 2.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2112 3.3874 1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 2.1944 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 1.2865 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 1.6533 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 0.7767 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 1.1639 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 2.3773 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 2.7342 -0.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5846 3.2337 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 2.8641 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 3.6732 1.6419 O 0 0 0 0 0 3 0 0 0 0 0 0 3.0510 -0.4025 -0.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -0.8024 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -2.1013 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 -3.1879 -0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 -4.4756 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 -5.5395 -0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 -4.7082 -1.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -6.0030 -2.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 -3.6441 -2.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -3.8804 -3.2901 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4006 -2.3496 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9222 0.0024 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.2299 0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -0.2092 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.5782 1.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.0994 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6326 -0.5381 2.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8105 -1.8684 1.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 0.0222 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1101 -1.2562 -0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 0.9724 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0004 2.2195 -1.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 1.1094 -0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 1.4567 -1.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 5.1828 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 4.7339 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 3.8658 2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 1.9682 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 0.5048 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 3.6175 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 4.2049 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -3.0437 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 -5.3269 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -6.7694 -1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -4.7782 -3.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -1.5224 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 -0.9958 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 1.1668 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 -0.0302 2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 -0.4688 3.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5756 -2.4453 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3141 0.3280 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 -1.4116 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 0.6450 -2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 2.4747 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0954 1.8984 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 2.4426 -1.6441 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 14 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 12 2 1 0 23 15 1 0 35 26 1 0 24 4 1 0 11 5 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 7 41 1 0 9 42 1 0 10 43 1 0 16 44 1 0 18 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 26 49 1 0 28 50 1 0 29 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 32 55 1 0 33 56 1 0 34 57 1 0 35 58 1 0 36 59 1 0 M CHG 1 12 1 M END