HMDB0034686 RDKit 3D (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid 56 57 0 0 0 0 0 0 0 0999 V2000 3.8007 -1.9577 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 -0.7982 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 0.2133 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 0.6387 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 -0.5044 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -1.0815 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 -2.2319 1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -0.2307 2.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 -0.2326 1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 0.5714 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 0.8518 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1611 0.9350 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 2.2205 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1558 3.0091 -0.6606 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 2.6089 -1.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5759 -0.1752 -1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -1.0225 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -1.3548 -1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -0.0880 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4187 0.8001 -1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 -0.5361 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -0.3962 -2.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 0.6424 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 1.8515 -1.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 -2.7011 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -2.1642 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.1865 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 1.1476 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 1.4335 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 1.0341 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 -1.2919 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -2.5302 2.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -2.9321 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.8119 2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8234 -0.6427 3.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 0.0738 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 -1.3259 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 1.5546 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0607 1.4019 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4777 -0.0625 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 1.6390 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 2.6750 -2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 0.3938 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 -0.8067 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -0.6580 -2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 -2.0194 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -1.7582 -1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -2.1252 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 1.0027 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 1.7392 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 0.2066 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -1.4146 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 0.2064 -2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 0.3939 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 0.6815 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 2.4909 -0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 2 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 19 5 1 0 19 10 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 20 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 M END