HMDB0031070 RDKit 3D (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 28 28 0 0 0 0 0 0 0 0999 V2000 5.5816 -0.4471 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 0.1933 -0.4257 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 1.7854 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 1.9511 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7238 0.8332 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 -0.1091 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 -1.2493 1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -1.2180 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 -1.8245 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -1.5754 -1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -0.8062 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0168 -0.3712 -1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8876 0.3484 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 0.8070 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 0.6337 1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -0.6613 0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -1.3718 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3395 -0.5595 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 0.3506 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 2.6005 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 2.9160 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.2463 2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.1932 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -2.3891 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0322 -1.9247 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3295 -0.6382 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8422 0.6258 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 1.4112 0.9146 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 3 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 11 16 1 0 16 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END