Mol:FL5FAAGL0107
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
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| − | 33 37 1 0 0 0 0 | + | 33 37 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 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 49 53 1 0 0 0 0 | + | 49 53 1 0 0 0 0 |
| − | 43 54 1 0 0 0 0 | + | 43 54 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 44 1 0 0 0 0 | + | 55 44 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 61 60 1 1 0 0 0 | + | 61 60 1 1 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 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 65 1 0 0 0 0 | + | 59 65 1 0 0 0 0 |
| − | 33 60 1 0 0 0 0 | + | 33 60 1 0 0 0 0 |
| − | 61 32 1 0 0 0 0 | + | 61 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0107 | + | ID FL5FAAGL0107 |
| − | FORMULA C42H46O23 | + | FORMULA C42H46O23 |
| − | EXACTMASS 918.242987778 | + | EXACTMASS 918.242987778 |
| − | AVERAGEMASS 918.8008399999999 | + | AVERAGEMASS 918.8008399999999 |
| − | SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(O5)C(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(O)c7O)=O)O)O)C(O)C(C5C)O)c(c2)ccc(O)c2)O | + | SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(O5)C(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(O)c7O)=O)O)O)C(O)C(C5C)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/
65 71 0 0 0 0 0 0 0 0999 V2000
1.2173 0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9338 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9338 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3667 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3667 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 2.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8774 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8774 3.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2292 3.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 0.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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35 41 1 0 0 0 0
36 42 1 0 0 0 0
39 43 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
48 52 1 0 0 0 0
49 53 1 0 0 0 0
43 54 1 0 0 0 0
54 55 1 0 0 0 0
55 44 1 0 0 0 0
55 56 2 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
61 60 1 1 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
57 63 1 0 0 0 0
58 64 1 0 0 0 0
59 65 1 0 0 0 0
33 60 1 0 0 0 0
61 32 1 0 0 0 0
S SKP 5
ID FL5FAAGL0107
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(O5)C(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(O)c7O)=O)O)O)C(O)C(C5C)O)c(c2)ccc(O)c2)O
M END
