HMDB0039068 RDKit 3D (R)-Byakangelicinn 2'-(3-methylbutanoate) 56 58 0 0 0 0 0 0 0 0999 V2000 -6.7797 0.1289 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0424 1.0082 0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 0.8436 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 1.4368 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9743 2.2372 -1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 2.5710 -2.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 2.0155 -1.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 1.3192 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 0.5664 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 0.4184 0.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 -0.0639 0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 -0.3559 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 -0.7505 -0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 -0.0136 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 1.0179 -1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -0.3402 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6939 0.5400 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 1.9987 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 0.1593 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -1.4690 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 -1.7899 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.0634 -2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -2.6596 -0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -0.0363 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -0.7650 2.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 -1.3360 3.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -2.0216 4.3218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6563 -1.2426 3.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1324 -0.4888 2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 0.0975 1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2061 -0.7924 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7619 -0.1595 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0361 0.6473 -1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 2.5187 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 3.1979 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 0.5224 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 -1.1045 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 0.5421 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -0.3189 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 -1.3821 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1151 0.3705 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5222 2.4923 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 2.5141 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 2.1777 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6072 0.7453 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6729 0.5135 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2907 -0.9245 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -2.6715 -2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -0.9427 -3.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -2.0580 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.2769 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -1.7182 -2.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4829 -0.0227 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -2.7502 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 -1.7200 3.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1781 -0.3616 2.0039 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 12 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 9 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 30 3 1 0 8 4 1 0 30 24 2 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 6 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 28 55 1 0 29 56 1 0 M END