Mol:FL5FACGA0044
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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| − | 4.2953 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2953 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
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| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 42 31 1 0 0 0 0 | + | 42 31 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 30 43 1 0 0 0 0 | + | 30 43 1 0 0 0 0 |
| − | 28 46 1 0 0 0 0 | + | 28 46 1 0 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 1 1 0 0 0 | + | 51 52 1 1 0 0 0 |
| − | 52 47 1 1 0 0 0 | + | 52 47 1 1 0 0 0 |
| − | 51 53 1 0 0 0 0 | + | 51 53 1 0 0 0 0 |
| − | 50 54 1 0 0 0 0 | + | 50 54 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 47 56 1 0 0 0 0 | + | 47 56 1 0 0 0 0 |
| − | 48 20 1 0 0 0 0 | + | 48 20 1 0 0 0 0 |
| − | 45 57 2 0 0 0 0 | + | 45 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 58 1 0 0 0 0 | + | 63 58 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGA0044 | + | ID FL5FACGA0044 |
| − | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
| − | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
| − | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
| − | SMILES c(c7O)cc(cc7)C=CC(OC(C6O)C(OC(C6O)OC(=C(c(c5)ccc(O)c5O)4)C(c(c(O4)2)c(O)cc(OC(C3O)OC(C(C3O)O)C)c2)=O)COC(O1)C(C(O)C(C1C)O)O)=O | + | SMILES c(c7O)cc(cc7)C=CC(OC(C6O)C(OC(C6O)OC(=C(c(c5)ccc(O)c5O)4)C(c(c(O4)2)c(O)cc(OC(C3O)OC(C(C3O)O)C)c2)=O)COC(O1)C(C(O)C(C1C)O)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
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4.2953 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5682 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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52 55 1 0 0 0 0
47 56 1 0 0 0 0
48 20 1 0 0 0 0
45 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
S SKP 5
ID FL5FACGA0044
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES c(c7O)cc(cc7)C=CC(OC(C6O)C(OC(C6O)OC(=C(c(c5)ccc(O)c5O)4)C(c(c(O4)2)c(O)cc(OC(C3O)OC(C(C3O)O)C)c2)=O)COC(O1)C(C(O)C(C1C)O)O)=O
M END
