Mol:FL5FAAGL0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -1.2696 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 2.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3026 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0307 1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 2.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3026 2.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 2.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2467 3.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 -0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 -0.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 0.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -0.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 -2.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 -3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 -2.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 -2.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4267 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 -3.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -3.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9161 -2.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 -1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 2.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2638 1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 1.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -0.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 2.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4096 3.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 3.0157 0.0000 O 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 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 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 40 30 1 0 0 0 0 22 41 1 0 0 0 0 41 8 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 18 1 0 0 0 0 51 52 1 0 0 0 0 36 51 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 47 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 ^ CH2OH M SBV 1 57 0.7611 -0.4032 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 53 54 55 M SBL 2 1 60 M SMT 2 ^ COOH M SBV 2 60 0.4693 -0.6111 S SKP 5 ID FL5FAAGL0041 FORMULA C33H38O22 EXACTMASS 786.1854728999999 AVERAGEMASS 786.64162 SMILES c(c6)c(ccc6O)C(=C(OC(C(O)4)OC(COC(O5)C(C(O)C(C(CO)5)O)O)C(O)C4O)3)Oc(c(C(=O)3)1)cc(OC(O2)C(C(O)C(O)C(C(O)=O)2)O)cc(O)1 M END