HMDB0040465 RDKit 3D Perilloside B 47 48 0 0 0 0 0 0 0 0999 V2000 5.5379 -1.4236 -2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 -0.6577 -1.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2234 -0.0138 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 -0.3899 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 -1.1116 -2.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -0.8225 -2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1391 -0.4283 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 -0.1711 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -0.3342 -1.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 0.2509 0.6917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 0.4747 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -0.3176 1.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 -0.1967 2.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 -1.5580 2.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4071 -2.1682 1.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 0.8127 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 1.0954 2.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 2.0889 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3067 3.0514 2.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 1.9038 1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 2.8265 0.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -0.2244 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4342 -0.8657 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -1.8843 -3.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 -1.5995 -3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 1.0839 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 -0.4287 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.2379 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 0.6835 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 -0.7099 -3.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 -2.2003 -2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.9634 -2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 0.2683 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 0.1301 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 -2.1451 3.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 -1.3192 2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2399 -2.3577 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8074 0.3546 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0781 1.9993 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 2.4461 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 3.0332 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 1.9952 2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 2.3914 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 0.8729 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -0.6253 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 -1.9907 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 -0.6176 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 7 22 1 0 22 23 1 0 23 4 1 0 20 11 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 M END