HMDB0030382 RDKit 3D 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone 43 46 0 0 0 0 0 0 0 0999 V2000 5.1251 3.0697 -0.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 2.0194 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 2.0309 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.8594 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 0.8616 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -0.5178 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 -0.5127 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.3986 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 0.2967 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 1.1375 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3282 1.0084 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0429 0.0324 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4273 -0.8173 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 -0.6663 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3785 -1.6777 1.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5428 -1.5668 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3985 -0.3056 -0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 -0.2672 -0.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 -0.2988 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -1.4972 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3741 -1.5621 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 -0.4168 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 0.7800 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1029 0.8427 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 2.9650 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 1.5473 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 1.2662 -1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -1.2151 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 -0.8628 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5325 -1.5583 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5111 -0.3156 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 0.0431 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 1.4297 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4187 1.8981 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 1.6597 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 -1.3090 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4139 -1.5608 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5864 -2.3948 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5127 -1.1684 0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -2.3960 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 -2.4911 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1706 -0.4512 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0316 1.6831 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 4 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 2 1 0 14 9 1 0 24 19 1 0 17 12 1 0 3 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 M END