Mol:FL7AAAGL0069
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
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| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 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 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 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 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 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 |
| − | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
| − | 42 49 1 0 0 0 0 | + | 42 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 41 46 1 0 0 0 0 | + | 41 46 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 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 |
| − | 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 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 52 27 1 0 0 0 0 | + | 52 27 1 0 0 0 0 |
| − | 55 53 1 0 0 0 0 | + | 55 53 1 0 0 0 0 |
| − | 62 63 1 1 0 0 0 | + | 62 63 1 1 0 0 0 |
| − | 63 64 1 1 0 0 0 | + | 63 64 1 1 0 0 0 |
| − | 65 64 1 1 0 0 0 | + | 65 64 1 1 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 62 1 0 0 0 0 | + | 67 62 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 62 70 1 0 0 0 0 | + | 62 70 1 0 0 0 0 |
| − | 63 71 1 0 0 0 0 | + | 63 71 1 0 0 0 0 |
| − | 64 72 1 0 0 0 0 | + | 64 72 1 0 0 0 0 |
| − | 61 65 1 0 0 0 0 | + | 61 65 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGL0069 | + | ID FL7AAAGL0069 |
| − | FORMULA C46H55O26 | + | FORMULA C46H55O26 |
| − | EXACTMASS 1023.298156932 | + | EXACTMASS 1023.298156932 |
| − | AVERAGEMASS 1023.9132999999999 | + | AVERAGEMASS 1023.9132999999999 |
| − | SMILES C(O)(C(C)8)C(O)C(C(O8)OCC(C7O)OC(C(C7O)O)Oc(c5c(c6)ccc(O)c6)cc(c4[o+1]5)c(cc(c4)OC(O1)C(C(O)C(C1COC(c(c3)ccc(c3)OC(O2)C(C(O)C(C2CO)O)O)=O)O)O)O)O | + | SMILES C(O)(C(C)8)C(O)C(C(O8)OCC(C7O)OC(C(C7O)O)Oc(c5c(c6)ccc(O)c6)cc(c4[o+1]5)c(cc(c4)OC(O1)C(C(O)C(C1COC(c(c3)ccc(c3)OC(O2)C(C(O)C(C2CO)O)O)=O)O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
72 79 0 0 0 0 0 0 0 0999 V2000
0.0164 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0164 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 3.9251 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.6507 3.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 3.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 3.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 5.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1871 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6434 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3441 -1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.1537 0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5147 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9213 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6974 -3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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21 28 1 0 0 0 0
22 29 1 0 0 0 0
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18 24 1 0 0 0 0
31 32 1 1 0 0 0
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67 68 1 0 0 0 0
68 69 1 0 0 0 0
62 70 1 0 0 0 0
63 71 1 0 0 0 0
64 72 1 0 0 0 0
61 65 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0069
FORMULA C46H55O26
EXACTMASS 1023.298156932
AVERAGEMASS 1023.9132999999999
SMILES C(O)(C(C)8)C(O)C(C(O8)OCC(C7O)OC(C(C7O)O)Oc(c5c(c6)ccc(O)c6)cc(c4[o+1]5)c(cc(c4)OC(O1)C(C(O)C(C1COC(c(c3)ccc(c3)OC(O2)C(C(O)C(C2CO)O)O)=O)O)O)O)O
M END
