HMDB0034133 RDKit 3D 3-(1,1-Dimethylallyl)scopoletin 35 36 0 0 0 0 0 0 0 0999 V2000 -4.6909 0.3333 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 0.6076 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -0.3135 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -0.7006 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -1.5774 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 0.2921 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0798 -0.3099 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.2504 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 -0.3517 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 0.1947 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.3930 0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -1.6051 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 1.3735 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 1.9301 -1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 1.9787 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 1.4256 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 1.9911 -1.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 1.4677 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 2.0641 -1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1142 -0.5561 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 0.9742 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 1.5146 1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 -0.2153 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5258 -1.7943 -1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -0.4216 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8093 -1.2632 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -2.3072 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3354 -2.0342 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 -1.2353 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 -1.2861 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 -2.4416 0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9979 -1.4390 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 -1.8481 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 2.7949 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 2.9006 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 6 1 0 16 8 1 0 1 20 1 0 1 21 1 0 2 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 9 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 M END