Mol:FL7AACGL0088
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 74 81 0 0 0 0 0 0 0 0999 V2000 | + | 74 81 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.6586 2.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6586 2.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 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 |
| − | 5 10 1 0 0 0 0 | + | 5 10 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 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 26 1 1 0 0 0 | + | 20 26 1 1 0 0 0 |
| − | 21 27 1 1 0 0 0 | + | 21 27 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 40 1 1 0 0 0 | + | 34 40 1 1 0 0 0 |
| − | 35 41 1 1 0 0 0 | + | 35 41 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 30 42 2 0 0 0 0 | + | 30 42 2 0 0 0 0 |
| − | 30 43 1 0 0 0 0 | + | 30 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 |
| − | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 60 1 1 0 0 0 | + | 54 60 1 1 0 0 0 |
| − | 55 61 1 1 0 0 0 | + | 55 61 1 1 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 53 56 1 0 0 0 0 | + | 53 56 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 57 61 1 0 0 0 0 | + | 57 61 1 0 0 0 0 |
| − | 58 60 1 0 0 0 0 | + | 58 60 1 0 0 0 0 |
| − | 56 59 1 0 0 0 0 | + | 56 59 1 0 0 0 0 |
| − | 60 61 1 1 0 0 0 | + | 60 61 1 1 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 51 54 1 0 0 0 0 | + | 51 54 1 0 0 0 0 |
| − | 3 63 1 0 0 0 0 | + | 3 63 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 72 1 1 0 0 0 | + | 66 72 1 1 0 0 0 |
| − | 67 73 1 1 0 0 0 | + | 67 73 1 1 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 65 68 1 0 0 0 0 | + | 65 68 1 0 0 0 0 |
| − | 64 67 1 0 0 0 0 | + | 64 67 1 0 0 0 0 |
| − | 69 73 1 0 0 0 0 | + | 69 73 1 0 0 0 0 |
| − | 70 72 1 0 0 0 0 | + | 70 72 1 0 0 0 0 |
| − | 68 71 1 0 0 0 0 | + | 68 71 1 0 0 0 0 |
| − | 72 73 1 1 0 0 0 | + | 72 73 1 1 0 0 0 |
| − | 71 74 1 0 0 0 0 | + | 71 74 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0088 | + | ID FL7AACGL0088 |
| − | FORMULA C47H55O27 | + | FORMULA C47H55O27 |
| − | EXACTMASS 1051.2930715539999 | + | EXACTMASS 1051.2930715539999 |
| − | AVERAGEMASS 1051.9234 | + | AVERAGEMASS 1051.9234 |
| − | SMILES c(c23)(cc(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(OC(O8)C(O)C(O)C(O)C8CO)c7)=O)O)OC(O5)C(O)C(O)C(C5)O)c(c(c4)ccc(O)c4O)[o+1]3)c(cc(c2)O)OC(O1)C(C(O)C(C1CO)O)O | + | SMILES c(c23)(cc(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(OC(O8)C(O)C(O)C(O)C8CO)c7)=O)O)OC(O5)C(O)C(O)C(C5)O)c(c(c4)ccc(O)c4O)[o+1]3)c(cc(c2)O)OC(O1)C(C(O)C(C1CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
74 81 0 0 0 0 0 0 0 0999 V2000
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0.1420 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8541 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 3.6583 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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2.2841 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 4.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5692 4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7175 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1761 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0728 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1434 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.2841 5.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2730 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7361 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4315 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2949 0.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 -0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6579 -2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 10 1
S SKP 5
ID FL7AACGL0088
FORMULA C47H55O27
EXACTMASS 1051.2930715539999
AVERAGEMASS 1051.9234
SMILES c(c23)(cc(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(OC(O8)C(O)C(O)C(O)C8CO)c7)=O)O)OC(O5)C(O)C(O)C(C5)O)c(c(c4)ccc(O)c4O)[o+1]3)c(cc(c2)O)OC(O1)C(C(O)C(C1CO)O)O
M END
