Mol:FL7AAGGL0056
From Metabolomics.JP
(Difference between revisions)
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| − | 83 90 0 0 0 0 0 0 0 0999 V2000 | + | 83 90 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.0471 -1.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0471 -1.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.5807 -6.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5807 -6.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
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| − | 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
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| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
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| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
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| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 22 1 0 0 0 0 | + | 36 22 1 0 0 0 0 |
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| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
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| − | 50 29 1 0 0 0 0 | + | 50 29 1 0 0 0 0 |
| − | 51 52 1 1 0 0 0 | + | 51 52 1 1 0 0 0 |
| − | 52 53 1 1 0 0 0 | + | 52 53 1 1 0 0 0 |
| − | 54 53 1 1 0 0 0 | + | 54 53 1 1 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 51 1 0 0 0 0 | + | 56 51 1 0 0 0 0 |
| − | 51 57 1 0 0 0 0 | + | 51 57 1 0 0 0 0 |
| − | 52 58 1 0 0 0 0 | + | 52 58 1 0 0 0 0 |
| − | 53 59 1 0 0 0 0 | + | 53 59 1 0 0 0 0 |
| − | 56 60 1 0 0 0 0 | + | 56 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 21 54 1 0 0 0 0 | + | 21 54 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 62 64 1 0 0 0 0 | + | 62 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 68 69 2 0 0 0 0 | + | 68 69 2 0 0 0 0 |
| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 70 71 2 0 0 0 0 | + | 70 71 2 0 0 0 0 |
| − | 71 66 1 0 0 0 0 | + | 71 66 1 0 0 0 0 |
| − | 69 72 1 0 0 0 0 | + | 69 72 1 0 0 0 0 |
| − | 43 62 1 0 0 0 0 | + | 43 62 1 0 0 0 0 |
| − | 73 74 1 1 0 0 0 | + | 73 74 1 1 0 0 0 |
| − | 74 75 1 1 0 0 0 | + | 74 75 1 1 0 0 0 |
| − | 76 75 1 1 0 0 0 | + | 76 75 1 1 0 0 0 |
| − | 76 77 1 0 0 0 0 | + | 76 77 1 0 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | 78 73 1 0 0 0 0 | + | 78 73 1 0 0 0 0 |
| − | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | 79 80 1 0 0 0 0 | + | 79 80 1 0 0 0 0 |
| − | 73 81 1 0 0 0 0 | + | 73 81 1 0 0 0 0 |
| − | 74 82 1 0 0 0 0 | + | 74 82 1 0 0 0 0 |
| − | 75 83 1 0 0 0 0 | + | 75 83 1 0 0 0 0 |
| − | 76 72 1 0 0 0 0 | + | 76 72 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0056 | + | ID FL7AAGGL0056 |
| − | KNApSAcK_ID C00014807 | + | KNApSAcK_ID C00014807 |
| − | NAME Ternatin C4 | + | NAME Ternatin C4 |
| − | CAS_RN 215378-77-1 | + | CAS_RN 215378-77-1 |
| − | FORMULA C51H59O32 | + | FORMULA C51H59O32 |
| − | EXACTMASS 1183.298944792 | + | EXACTMASS 1183.298944792 |
| − | AVERAGEMASS 1183.99496 | + | AVERAGEMASS 1183.99496 |
| − | SMILES O(C(Oc(c8)ccc(c8)C=CC(OCC(O2)C(O)C(C(C(Oc(c(O)3)cc(c(c6OC(O7)C(O)C(C(C7COC(=O)CC(O)=O)O)O)[o+1]c(c(c6)5)cc(O)cc(O)5)cc3OC(C4O)OC(CO)C(C(O)4)O)2)O)O)=O)1)C(C(O)C(O)C1O)CO | + | SMILES O(C(Oc(c8)ccc(c8)C=CC(OCC(O2)C(O)C(C(C(Oc(c(O)3)cc(c(c6OC(O7)C(O)C(C(C7COC(=O)CC(O)=O)O)O)[o+1]c(c(c6)5)cc(O)cc(O)5)cc3OC(C4O)OC(CO)C(C(O)4)O)2)O)O)=O)1)C(C(O)C(O)C1O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
83 90 0 0 0 0 0 0 0 0999 V2000
-3.0699 1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0699 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6409 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6409 1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 1.8472 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5645 1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2790 1.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9935 1.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9935 2.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2790 3.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5645 2.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 3.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0056
KNApSAcK_ID C00014807
NAME Ternatin C4
CAS_RN 215378-77-1
FORMULA C51H59O32
EXACTMASS 1183.298944792
AVERAGEMASS 1183.99496
SMILES O(C(Oc(c8)ccc(c8)C=CC(OCC(O2)C(O)C(C(C(Oc(c(O)3)cc(c(c6OC(O7)C(O)C(C(C7COC(=O)CC(O)=O)O)O)[o+1]c(c(c6)5)cc(O)cc(O)5)cc3OC(C4O)OC(CO)C(C(O)4)O)2)O)O)=O)1)C(C(O)C(O)C1O)CO
M END
