Mol:FL7AACGL0112
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.9323 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9323 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5055 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5055 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5.7827 2.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7827 2.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0497 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0497 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1344 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1344 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6257 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6257 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8115 -0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8115 -0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7267 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7267 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0654 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0654 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4091 -1.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4091 -1.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1716 -2.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1716 -2.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6935 -2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6935 -2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8603 -0.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8603 -0.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2115 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2115 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1812 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1812 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.4784 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4784 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.4784 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4784 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6534 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6534 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7148 -0.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7148 -0.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0566 0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0566 0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7827 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7827 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9824 -2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9824 -2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7860 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7860 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8176 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8176 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2649 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2649 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4612 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4612 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4296 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4296 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5553 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5553 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6008 -3.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6008 -3.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1623 -3.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1623 -3.6410 0.0000 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 36 29 1 0 0 0 0 | + | 36 29 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 48 1 0 0 0 0 | + | 53 48 1 0 0 0 0 |
| − | 51 54 1 0 0 0 0 | + | 51 54 1 0 0 0 0 |
| − | 50 55 1 0 0 0 0 | + | 50 55 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 59 63 1 0 0 0 0 | + | 59 63 1 0 0 0 0 |
| − | 58 64 1 0 0 0 0 | + | 58 64 1 0 0 0 0 |
| − | 57 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 60 32 1 0 0 0 0 | + | 60 32 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0112 | + | ID FL7AACGL0112 |
| − | FORMULA C42H47O23 | + | FORMULA C42H47O23 |
| − | EXACTMASS 919.25081281 | + | EXACTMASS 919.25081281 |
| − | AVERAGEMASS 919.8087800000001 | + | AVERAGEMASS 919.8087800000001 |
| − | SMILES c(c(O)1)cc(C=CC(=O)OCC(O2)C(O)C(O)C(O)C(OCC(O3)C(O)C(C(OC(O7)C(O)C(O)C(C7)O)C(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)3)O)2)cc1OC | + | SMILES c(c(O)1)cc(C=CC(=O)OCC(O2)C(O)C(O)C(O)C(OCC(O3)C(O)C(C(OC(O7)C(O)C(O)C(C7)O)C(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)3)O)2)cc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
0.0745 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0745 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7889 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5034 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5034 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7889 2.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 2.3677 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.7089 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4233 1.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1378 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1378 3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4233 3.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7780 3.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5765 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5055 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7889 -0.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7827 2.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0497 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1344 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6257 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8115 -0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7267 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0654 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4091 -1.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1716 -2.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6935 -2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -0.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0920 -1.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9173 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3234 -0.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.8066 -2.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6534 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8909 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4784 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.7148 -0.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7827 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9824 -2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8176 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2649 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4612 -1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4296 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5553 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6008 -3.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 -3.6410 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 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 29 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
50 55 1 0 0 0 0
55 56 1 0 0 0 0
43 39 1 0 0 0 0
57 58 1 1 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
59 63 1 0 0 0 0
58 64 1 0 0 0 0
57 65 1 0 0 0 0
60 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0112
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES c(c(O)1)cc(C=CC(=O)OCC(O2)C(O)C(O)C(O)C(OCC(O3)C(O)C(C(OC(O7)C(O)C(O)C(C7)O)C(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)3)O)2)cc1OC
M END
