Mol:FL7AACGL0082
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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| − | 85 86 1 0 0 0 0 | + | 85 86 1 0 0 0 0 |
| − | 86 87 1 1 0 0 0 | + | 86 87 1 1 0 0 0 |
| − | 87 88 1 1 0 0 0 | + | 87 88 1 1 0 0 0 |
| − | 89 88 1 1 0 0 0 | + | 89 88 1 1 0 0 0 |
| − | 89 90 1 0 0 0 0 | + | 89 90 1 0 0 0 0 |
| − | 90 85 1 0 0 0 0 | + | 90 85 1 0 0 0 0 |
| − | 85 91 1 0 0 0 0 | + | 85 91 1 0 0 0 0 |
| − | 90 92 1 0 0 0 0 | + | 90 92 1 0 0 0 0 |
| − | 89 93 1 0 0 0 0 | + | 89 93 1 0 0 0 0 |
| − | 86 84 1 0 0 0 0 | + | 86 84 1 0 0 0 0 |
| − | 94 95 1 0 0 0 0 | + | 94 95 1 0 0 0 0 |
| − | 88 94 1 0 0 0 0 | + | 88 94 1 0 0 0 0 |
| − | 96 97 1 0 0 0 0 | + | 96 97 1 0 0 0 0 |
| − | 71 96 1 0 0 0 0 | + | 71 96 1 0 0 0 0 |
| − | 98100 1 0 0 0 0 | + | 98100 1 0 0 0 0 |
| − | 98 99 2 0 0 0 0 | + | 98 99 2 0 0 0 0 |
| − | 77 98 1 0 0 0 0 | + | 77 98 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 94 95 | + | M SAL 1 2 94 95 |
| − | M SBL 1 1 104 | + | M SBL 1 1 104 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 104 -0.7229 -0.0622 | + | M SBV 1 104 -0.7229 -0.0622 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 96 97 | + | M SAL 2 2 96 97 |
| − | M SBL 2 1 106 | + | M SBL 2 1 106 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 106 0.5141 -0.4778 | + | M SBV 2 106 0.5141 -0.4778 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 3 98 99 100 | + | M SAL 3 3 98 99 100 |
| − | M SBL 3 1 109 | + | M SBL 3 1 109 |
| − | M SMT 3 ^ COOH | + | M SMT 3 ^ COOH |
| − | M SBV 3 109 0.7482 -0.4318 | + | M SBV 3 109 0.7482 -0.4318 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0082 | + | ID FL7AACGL0082 |
| − | FORMULA C62H71O38 | + | FORMULA C62H71O38 |
| − | EXACTMASS 1423.3623329079999 | + | EXACTMASS 1423.3623329079999 |
| − | AVERAGEMASS 1424.2043400000002 | + | AVERAGEMASS 1424.2043400000002 |
| − | SMILES C(O1)(C(C(O)C(O)C(Oc(c(c(c7)cc(OC(C8O)OC(COC(=O)c(c%10)ccc(c%10)OC(O9)C(O)C(O)C(C9CO)O)C(C(O)8)O)c(c7)O)6)cc(c5[o+1]6)c(O)cc(c5)OC(C(O)2)OC(COC(c(c4)ccc(c4)OC(C(O)3)OC(CO)C(C3O)O)=O)C(O)C2O)1)O)COC(=O)CC(=O)O | + | SMILES C(O1)(C(C(O)C(O)C(Oc(c(c(c7)cc(OC(C8O)OC(COC(=O)c(c%10)ccc(c%10)OC(O9)C(O)C(O)C(C9CO)O)C(C(O)8)O)c(c7)O)6)cc(c5[o+1]6)c(O)cc(c5)OC(C(O)2)OC(COC(c(c4)ccc(c4)OC(C(O)3)OC(CO)C(C3O)O)=O)C(O)C2O)1)O)COC(=O)CC(=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
100109 0 0 0 0 0 0 0 0999 V2000
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53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
41 57 1 0 0 0 0
57 58 2 0 0 0 0
35 17 1 0 0 0 0
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59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
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63 64 2 0 0 0 0
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67 65 1 0 0 0 0
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75 76 1 0 0 0 0
76 77 1 0 0 0 0
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56 79 2 0 0 0 0
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80 81 2 0 0 0 0
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82 83 2 0 0 0 0
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88 94 1 0 0 0 0
96 97 1 0 0 0 0
71 96 1 0 0 0 0
98100 1 0 0 0 0
98 99 2 0 0 0 0
77 98 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 94 95
M SBL 1 1 104
M SMT 1 CH2OH
M SBV 1 104 -0.7229 -0.0622
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 96 97
M SBL 2 1 106
M SMT 2 ^ CH2OH
M SBV 2 106 0.5141 -0.4778
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 98 99 100
M SBL 3 1 109
M SMT 3 ^ COOH
M SBV 3 109 0.7482 -0.4318
S SKP 5
ID FL7AACGL0082
FORMULA C62H71O38
EXACTMASS 1423.3623329079999
AVERAGEMASS 1424.2043400000002
SMILES C(O1)(C(C(O)C(O)C(Oc(c(c(c7)cc(OC(C8O)OC(COC(=O)c(c%10)ccc(c%10)OC(O9)C(O)C(O)C(C9CO)O)C(C(O)8)O)c(c7)O)6)cc(c5[o+1]6)c(O)cc(c5)OC(C(O)2)OC(COC(c(c4)ccc(c4)OC(C(O)3)OC(CO)C(C3O)O)=O)C(O)C2O)1)O)COC(=O)CC(=O)O
M END
