Mol:FL7AACGA0009
From Metabolomics.JP
(Difference between revisions)
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| − | 63 69 0 0 0 0 0 0 0 0999 V2000 | + | 63 69 0 0 0 0 0 0 0 0999 V2000 |
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| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
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| − | 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 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 30 41 1 0 0 0 0 | + | 30 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 41 1 0 0 0 0 | + | 45 41 1 0 0 0 0 |
| − | 47 51 1 0 0 0 0 | + | 47 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGA0009 | + | ID FL7AACGA0009 |
| − | FORMULA C41H45O22 | + | FORMULA C41H45O22 |
| − | EXACTMASS 889.240248124 | + | EXACTMASS 889.240248124 |
| − | AVERAGEMASS 889.7828 | + | AVERAGEMASS 889.7828 |
| − | SMILES C(OC(O7)C(C(C(O)C7)O)O)(C6O)C(OC(C(O)6)COC(C5O)OC(C(C(O)5)O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c2c(c3)ccc(c(O)3)O)cc(c([o+1]2)1)c(O)cc(O)c1 | + | SMILES C(OC(O7)C(C(C(O)C7)O)O)(C6O)C(OC(C(O)6)COC(C5O)OC(C(C(O)5)O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c2c(c3)ccc(c(O)3)O)cc(c([o+1]2)1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.3873 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4715 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 2.0540 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.1860 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGA0009
FORMULA C41H45O22
EXACTMASS 889.240248124
AVERAGEMASS 889.7828
SMILES C(OC(O7)C(C(C(O)C7)O)O)(C6O)C(OC(C(O)6)COC(C5O)OC(C(C(O)5)O)COC(=O)C=Cc(c4)ccc(c4)O)Oc(c2c(c3)ccc(c(O)3)O)cc(c([o+1]2)1)c(O)cc(O)c1
M END
