Mol:FL5FACGS0119
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 69 75 0 0 0 0 0 0 0 0999 V2000 | + | 69 75 0 0 0 0 0 0 0 0999 V2000 |
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| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
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| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
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| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 46 53 1 0 0 0 0 | + | 46 53 1 0 0 0 0 |
| − | 47 43 1 0 0 0 0 | + | 47 43 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | 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 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 61 68 1 0 0 0 0 | + | 61 68 1 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 54 50 1 0 0 0 0 | + | 54 50 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0119 | + | ID FL5FACGS0119 |
| − | FORMULA C44H50O25 | + | FORMULA C44H50O25 |
| − | EXACTMASS 978.26411715 | + | EXACTMASS 978.26411715 |
| − | AVERAGEMASS 978.8528000000001 | + | AVERAGEMASS 978.8528000000001 |
| − | SMILES O(c(c7)cc(c(c72)C(=O)C(OC(O6)C(C(O)C(C6CO)O)OC(O4)C(C(C(C(COC(C=Cc(c5)cc(OC)c(c(OC)5)O)=O)4)O)O)O)=C(c(c3)ccc(O)c3O)O2)O)C(C1O)OC(C)C(O)C(O)1 | + | SMILES O(c(c7)cc(c(c72)C(=O)C(OC(O6)C(C(O)C(C6CO)O)OC(O4)C(C(C(C(COC(C=Cc(c5)cc(OC)c(c(OC)5)O)=O)4)O)O)O)=C(c(c3)ccc(O)c3O)O2)O)C(C1O)OC(C)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
69 75 0 0 0 0 0 0 0 0999 V2000
3.1353 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4208 2.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4208 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 3.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 2.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7064 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9919 2.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2774 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2774 0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9919 0.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7064 0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4370 2.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9919 -0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.3053 0.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2196 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0159 -3.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0176 -2.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4396 -1.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6432 -1.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1522 -4.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6317 -3.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.5298 -3.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1112 -3.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6178 -1.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4417 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 5
ID FL5FACGS0119
FORMULA C44H50O25
EXACTMASS 978.26411715
AVERAGEMASS 978.8528000000001
SMILES O(c(c7)cc(c(c72)C(=O)C(OC(O6)C(C(O)C(C6CO)O)OC(O4)C(C(C(C(COC(C=Cc(c5)cc(OC)c(c(OC)5)O)=O)4)O)O)O)=C(c(c3)ccc(O)c3O)O2)O)C(C1O)OC(C)C(O)C(O)1
M END
