HMDB0030087 RDKit 3D (-)-Arctigenin 51 53 0 0 0 0 0 0 0 0999 V2000 6.4819 0.0292 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -1.1269 0.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -1.7104 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -1.2091 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -1.8192 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -1.2835 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -0.2127 -1.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9240 -0.5561 -2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4318 -3.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 0.3487 -3.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 1.0996 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 0.2283 -0.8074 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5486 0.9552 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 1.3334 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 2.5360 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 2.8739 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 2.0302 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0197 2.3792 1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4524 3.6110 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2224 0.8191 1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1446 -0.0201 2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 -1.2791 2.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 0.5039 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 -2.9530 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2137 -3.4795 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3407 -2.8578 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -3.3939 -1.3469 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4544 -0.2880 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4419 0.5687 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 0.6704 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -0.3217 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 -0.8778 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -2.1188 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 0.6828 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 2.0520 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 1.2718 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -0.6428 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 0.2868 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 1.8451 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 3.2537 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 3.8296 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5314 3.7855 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8573 4.3999 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1686 3.6718 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6854 -1.9719 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -1.2308 3.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 -1.7604 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 -0.4407 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -3.4779 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2951 -4.3737 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -4.2285 -1.9093 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 1 0 6 7 1 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 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 12 7 1 0 23 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 6 11 35 1 0 11 36 1 0 12 37 1 1 13 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 22 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 M END