Mol:FL7AACGL0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5522 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5522 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5522 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5522 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8377 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8377 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8377 2.6819 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8377 2.6819 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4088 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4088 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4088 2.6819 0.4367 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.4088 2.6819 0.4367 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0199 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0199 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 2.2613 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 2.2613 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4762 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4762 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4762 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4762 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 3.9429 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 3.9429 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0199 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0199 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2664 2.6818 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2664 2.6818 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2042 3.9428 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2042 3.9428 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8377 0.2072 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8377 0.2072 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0463 0.9106 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0463 0.9106 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 -0.1996 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 -0.1996 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7210 0.2983 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7210 0.2983 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8894 -0.5764 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8894 -0.5764 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6650 -1.3663 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6650 -1.3663 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 -1.7745 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 -1.7745 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1478 -0.9894 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1478 -0.9894 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3599 0.5151 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3599 0.5151 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6266 -1.2935 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6266 -1.2935 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3735 -2.2617 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3735 -2.2617 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8840 -2.1512 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8840 -2.1512 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0807 0.9129 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0807 0.9129 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5966 0.2318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5966 0.2318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3394 0.5208 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3394 0.5208 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0563 0.5285 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0563 0.5285 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5354 1.0496 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5354 1.0496 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8854 0.7065 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8854 0.7065 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0617 0.2119 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0617 0.2119 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9109 0.0111 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9109 0.0111 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5966 0.8598 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5966 0.8598 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2438 -2.4501 -0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2438 -2.4501 -0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1864 -3.2575 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1864 -3.2575 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0400 -4.0639 -0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0400 -4.0639 -0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9804 -3.2734 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9804 -3.2734 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2984 -4.0210 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 -4.0210 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1707 -4.0370 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1707 -4.0370 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5899 -3.3198 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5899 -3.3198 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3990 -3.3346 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3990 -3.3346 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7889 -4.0664 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7889 -4.0664 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3697 -4.7835 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3697 -4.7835 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 -4.7688 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 -4.7688 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5966 -4.0811 0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5966 -4.0811 0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7481 4.7835 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7481 4.7835 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 40 30 1 0 0 0 0 | + | 40 30 1 0 0 0 0 |
| − | 15 52 1 0 0 0 0 | + | 15 52 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0032 | + | ID FL7AACGL0032 |
| − | FORMULA C35H35O17 | + | FORMULA C35H35O17 |
| − | EXACTMASS 727.187424694 | + | EXACTMASS 727.187424694 |
| − | AVERAGEMASS 727.6422 | + | AVERAGEMASS 727.6422 |
| − | SMILES Oc(c6)c(cc(c6)c([o+1]1)c(OC(O3)C(OC(O5)C(O)C(C(O)C5)O)C(C(C3COC(C=Cc(c4)ccc(c4)O)=O)O)O)cc(c2O)c1cc(O)c2)O | + | SMILES Oc(c6)c(cc(c6)c([o+1]1)c(OC(O3)C(OC(O5)C(O)C(C(O)C5)O)C(C(C3COC(C=Cc(c4)ccc(c4)O)=O)O)O)cc(c2O)c1cc(O)c2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.5522 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5522 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8377 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8377 2.6819 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4088 1.0318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 1.4443 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 2.2694 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4088 2.6819 0.4367 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0199 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 2.2613 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4762 2.6818 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4762 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 3.9429 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0199 3.5225 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2664 2.6818 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2042 3.9428 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8377 0.2072 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 0.9106 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -0.1996 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7210 0.2983 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8894 -0.5764 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6650 -1.3663 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -1.7745 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1478 -0.9894 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 0.5151 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -1.2935 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3735 -2.2617 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 -2.1512 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0807 0.9129 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 0.2318 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3394 0.5208 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 0.5285 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5354 1.0496 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8854 0.7065 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0617 0.2119 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9109 0.0111 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5966 0.8598 0.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2438 -2.4501 -0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1864 -3.2575 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0400 -4.0639 -0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9804 -3.2734 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2984 -4.0210 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1707 -4.0370 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5899 -3.3198 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 -3.3346 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7889 -4.0664 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3697 -4.7835 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 -4.7688 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 -4.0811 0.6466 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 4.7835 0.4367 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 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
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
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
40 30 1 0 0 0 0
15 52 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0032
FORMULA C35H35O17
EXACTMASS 727.187424694
AVERAGEMASS 727.6422
SMILES Oc(c6)c(cc(c6)c([o+1]1)c(OC(O3)C(OC(O5)C(O)C(C(O)C5)O)C(C(C3COC(C=Cc(c4)ccc(c4)O)=O)O)O)cc(c2O)c1cc(O)c2)O
M END
