Mol:FL5FAAGL0108
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
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| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 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 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 42 52 1 0 0 0 0 | + | 42 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 43 1 0 0 0 0 | + | 53 43 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
| − | 58 57 1 1 0 0 0 | + | 58 57 1 1 0 0 0 |
| − | 59 58 1 1 0 0 0 | + | 59 58 1 1 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 55 61 1 0 0 0 0 | + | 55 61 1 0 0 0 0 |
| − | 56 62 1 0 0 0 0 | + | 56 62 1 0 0 0 0 |
| − | 57 63 1 0 0 0 0 | + | 57 63 1 0 0 0 0 |
| − | 58 64 1 0 0 0 0 | + | 58 64 1 0 0 0 0 |
| − | 59 32 1 0 0 0 0 | + | 59 32 1 0 0 0 0 |
| − | 64 36 1 0 0 0 0 | + | 64 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0108 | + | ID FL5FAAGL0108 |
| − | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
| − | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
| − | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
| − | SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)7)=C(Oc(c76)cc(cc6O)OC(O5)C(C(O)C(C5C)O)OC(O3)C(O)C(C(O)C3COC(=O)C=Cc(c4)ccc(O)c4)O)c(c2)ccc(O)c2)O | + | SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)7)=C(Oc(c76)cc(cc6O)OC(O5)C(C(O)C(C5C)O)OC(O3)C(O)C(C(O)C3COC(=O)C=Cc(c4)ccc(O)c4)O)c(c2)ccc(O)c2)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
1.3717 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0881 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0881 1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8045 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5209 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5209 1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8045 2.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1520 2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5809 2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5809 2.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1520 2.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2182 3.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8045 -0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.1384 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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42 52 1 0 0 0 0
52 53 1 0 0 0 0
53 43 1 0 0 0 0
53 54 2 0 0 0 0
55 56 1 0 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
59 58 1 1 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 63 1 0 0 0 0
58 64 1 0 0 0 0
59 32 1 0 0 0 0
64 36 1 0 0 0 0
S SKP 5
ID FL5FAAGL0108
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)7)=C(Oc(c76)cc(cc6O)OC(O5)C(C(O)C(C5C)O)OC(O3)C(O)C(C(O)C3COC(=O)C=Cc(c4)ccc(O)c4)O)c(c2)ccc(O)c2)O
M END
