HMDB0037679 RDKit 3D Guaicyl phenylacetate 32 33 0 0 0 0 0 0 0 0999 V2000 -2.9343 2.8020 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 1.8048 -0.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 0.5279 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 0.2160 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4242 -1.0704 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 -2.0236 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 -1.7521 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 -0.4421 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8672 -0.1111 -1.4099 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2064 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 -0.6062 0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 0.1401 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 -0.0354 -0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 0.9309 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 0.7340 1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -0.4855 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -1.4792 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 -1.2687 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 3.7175 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 3.0691 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 2.4375 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4721 0.9523 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -1.2855 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1523 -3.0269 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -2.5165 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -0.4877 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6196 1.1985 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 1.9022 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 1.5398 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8898 -0.6354 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 -2.4539 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -2.0858 -1.1658 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 3 1 0 18 13 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 12 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 M END