HMDB0036042 RDKit 3D Marmelolactone A 26 26 0 0 0 0 0 0 0 0999 V2000 3.8100 -0.0187 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 0.0344 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 1.2253 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -1.0761 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 -1.2868 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -0.3515 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -1.0651 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.2327 0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 1.1476 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.1182 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 0.0210 3.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 -0.1973 1.0958 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4224 0.7899 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -0.8625 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 2.0403 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 1.6565 -0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 1.1612 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -1.9175 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 -2.2441 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 0.5731 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -0.9929 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 -2.0650 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -0.7428 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 1.7430 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 1.6282 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 1.1508 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 6 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 M END