Mol:FL7AAGGL0031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 83 91 0 0 0 0 0 0 0 0999 V2000 | + | 83 91 0 0 0 0 0 0 0 0999 V2000 |
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| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 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 |
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| − | 65 66 1 1 0 0 0 | + | 65 66 1 1 0 0 0 |
| − | 67 66 1 1 0 0 0 | + | 67 66 1 1 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 |
| − | 69 64 1 0 0 0 0 | + | 69 64 1 0 0 0 0 |
| − | 63 67 1 0 0 0 0 | + | 63 67 1 0 0 0 0 |
| − | 66 70 1 0 0 0 0 | + | 66 70 1 0 0 0 0 |
| − | 64 71 1 0 0 0 0 | + | 64 71 1 0 0 0 0 |
| − | 69 72 1 0 0 0 0 | + | 69 72 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 74 75 2 0 0 0 0 | + | 74 75 2 0 0 0 0 |
| − | 74 76 1 0 0 0 0 | + | 74 76 1 0 0 0 0 |
| − | 76 77 2 0 0 0 0 | + | 76 77 2 0 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | 78 79 2 0 0 0 0 | + | 78 79 2 0 0 0 0 |
| − | 79 80 1 0 0 0 0 | + | 79 80 1 0 0 0 0 |
| − | 80 81 2 0 0 0 0 | + | 80 81 2 0 0 0 0 |
| − | 81 76 1 0 0 0 0 | + | 81 76 1 0 0 0 0 |
| − | 79 82 1 0 0 0 0 | + | 79 82 1 0 0 0 0 |
| − | 65 83 1 0 0 0 0 | + | 65 83 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0031 | + | ID FL7AAGGL0031 |
| − | FORMULA C53H59O30 | + | FORMULA C53H59O30 |
| − | EXACTMASS 1175.3091155480001 | + | EXACTMASS 1175.3091155480001 |
| − | AVERAGEMASS 1176.01756 | + | AVERAGEMASS 1176.01756 |
| − | SMILES OC(C(O)1)C(C(Oc(c9)cc(c6c9O)[o+1]c(c(OC(C8O)OC(C(O)C8O)COC(C(O)7)OC(C)C(C(O)7)O)c6)c(c5)cc(c(O)c5O)O)OC1COC(=O)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3COC(c(c4)ccc(O)c4)=O)c2)O | + | SMILES OC(C(O)1)C(C(Oc(c9)cc(c6c9O)[o+1]c(c(OC(C8O)OC(C(O)C8O)COC(C(O)7)OC(C)C(C(O)7)O)c6)c(c5)cc(c(O)c5O)O)OC1COC(=O)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3COC(c(c4)ccc(O)c4)=O)c2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
83 91 0 0 0 0 0 0 0 0999 V2000
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1.3576 4.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3576 5.7990 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.8169 5.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2458 5.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2458 6.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 7.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8169 6.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8310 6.9414 0.0000 O 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 FL7AAGGL0031
FORMULA C53H59O30
EXACTMASS 1175.3091155480001
AVERAGEMASS 1176.01756
SMILES OC(C(O)1)C(C(Oc(c9)cc(c6c9O)[o+1]c(c(OC(C8O)OC(C(O)C8O)COC(C(O)7)OC(C)C(C(O)7)O)c6)c(c5)cc(c(O)c5O)O)OC1COC(=O)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3COC(c(c4)ccc(O)c4)=O)c2)O
M END
