HMDB0040868 RDKit 3D 4-O-Methylpinosylvic acid 34 35 0 0 0 0 0 0 0 0999 V2000 -3.9798 2.5883 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 1.2285 0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 0.2371 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 -1.0941 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 -2.0776 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 -3.4042 0.6446 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.7396 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -2.8203 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -4.0347 -0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.7373 -0.7015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1382 -0.4375 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 0.1274 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -0.2926 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 0.3597 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -0.2387 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 0.2988 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 1.4610 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 2.0750 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 1.5105 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 0.5608 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 2.7318 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7503 3.2778 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 2.7624 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -1.3432 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -3.6567 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 -2.4648 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 1.0637 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -1.1648 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -1.1471 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 -0.1535 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1185 1.9193 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 2.9795 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 2.0027 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 1.6223 0.0743 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 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 11 20 2 0 20 3 1 0 19 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 6 25 1 0 10 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 M END