HMDB0033092 RDKit 3D 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid 28 27 0 0 0 0 0 0 0 0999 V2000 3.1891 -0.3283 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -0.5898 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.1428 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 1.1970 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.9707 2.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 -0.0882 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 1.2220 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 1.3224 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0959 1.5519 1.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.1639 -1.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -1.2347 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -1.6759 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 -1.3490 0.5433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 -2.5176 -1.3475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 -1.0764 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -0.4680 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 0.6438 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 -1.3840 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 1.2214 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 2.2015 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.4585 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -0.2290 1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 2.0660 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 1.3744 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 2.0359 -1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 -2.1355 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -0.9876 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 -3.5082 -1.3524 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 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 M END