HMDB0037805 RDKit 3D D6-Ambrettolide 46 46 0 0 0 0 0 0 0 0999 V2000 2.0457 2.9532 2.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 2.3752 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 1.1357 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 0.7429 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 -0.4546 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -1.7596 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -2.3317 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -2.8778 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 -3.0039 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -2.2353 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 -1.6453 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -0.7589 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 0.1271 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 1.2217 -1.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 2.3623 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 3.2043 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 2.2843 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 2.9063 0.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 1.3150 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 0.3657 1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 1.5967 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 0.5544 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.4131 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 -0.3541 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -2.4785 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -1.6010 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 -2.2843 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 -3.2833 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5114 -2.6843 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 -4.0544 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 -2.8879 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5844 -1.3782 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 -1.1465 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 -2.5118 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 -1.4029 0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -0.1318 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 -0.4190 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 0.5859 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 1.6174 -2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 0.8362 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 2.9788 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 1.8790 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3175 3.9241 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 3.7649 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 2.0083 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 1.3587 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 2 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 M END