HMDB0260155 RDKit 3D (3R,5R)-7-[(1S,2R,3R,8S,8Ar)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3... 66 67 0 0 0 0 0 0 0 0999 V2000 -6.4803 3.3942 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0384 3.0402 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 2.0285 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7371 0.8036 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 1.6759 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 2.2356 0.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 0.7804 -0.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8143 0.4399 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5365 0.9172 -2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 -0.0779 -3.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -1.3596 -3.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.8894 -1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -3.1890 -1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 -3.5593 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 -4.8965 -0.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.7796 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 -3.2523 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.3033 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.4716 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -0.6181 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1945 0.2599 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 1.5898 0.1278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 0.0436 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 0.9437 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 0.6358 -0.7004 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7671 0.6868 1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8495 1.5663 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7240 2.3866 0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 1.4750 1.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 -0.9913 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8649 2.9517 2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 3.0028 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6607 4.4831 1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 2.5493 2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 3.9664 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 2.4040 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7608 0.7059 2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2649 -0.1366 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7722 0.7991 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 1.0495 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 1.8189 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 1.2227 -2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 0.2950 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 -2.0543 -4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 -3.8856 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -3.2636 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -5.3364 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 -3.1546 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -2.6790 -2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 -3.3373 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -4.3139 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 -1.0266 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7116 0.5686 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -0.8948 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -0.3263 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -1.6443 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 -0.0819 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 1.7456 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -1.0047 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 0.3017 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 2.0052 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 1.3260 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 0.8718 2.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -0.3906 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 2.2699 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -1.3219 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 18 30 1 0 30 8 1 0 30 12 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 4 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 23 60 1 0 24 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 29 65 1 0 30 66 1 0 M END