Mol:FL7AAHGL0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -2.2860 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 0.5642 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7233 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 1.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 0.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1296 1.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -2.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -1.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 -2.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 -3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -3.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5264 -2.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 -2.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 -0.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -0.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 -0.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -3.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 -3.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -3.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 -2.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -2.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 -2.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 -2.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9078 -2.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4648 -2.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -3.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1053 -1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 2.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 3.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 13 42 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 19 1 0 0 0 0 52 53 1 0 0 0 0 48 52 1 0 0 0 0 54 55 1 0 0 0 0 15 54 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 ^ CH2OH M SBV 1 58 0.5524 -0.7167 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 OCH3 M SBV 2 60 0.0000 -0.7041 S SKP 5 ID FL7AAHGL0008 FORMULA C34H43O21 EXACTMASS 787.2296834379999 AVERAGEMASS 787.6926199999999 SMILES OC(C(O)1)C(C(CO)OC(Oc(c62)cc(cc2[o+1]c(c(c6)OC(C(O)5)OC(C(O)C(O)5)COC(O4)C(C(C(C4C)O)O)O)c(c3)cc(c(O)c3OC)O)O)1)O M END
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