Mol:FL5FACGA0042
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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| − | -3.8133 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8133 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1508 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1508 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6322 1.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6322 1.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.7802 1.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7802 1.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 8 1 0 0 0 0 | + | 22 8 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 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 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 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 |
| − | 45 47 2 0 0 0 0 | + | 45 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 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 48 1 0 0 0 0 | + | 53 48 1 0 0 0 0 |
| − | 51 54 1 0 0 0 0 | + | 51 54 1 0 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 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 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 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 20 1 0 0 0 0 | + | 58 20 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 60 64 1 0 0 0 0 | + | 60 64 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 64 65 | + | M SAL 1 2 64 65 |
| − | M SBL 1 1 71 | + | M SBL 1 1 71 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 71 0.5708 -0.5507 | + | M SBV 1 71 0.5708 -0.5507 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGA0042 | + | ID FL5FACGA0042 |
| − | FORMULA C42H46O23 | + | FORMULA C42H46O23 |
| − | EXACTMASS 918.242987778 | + | EXACTMASS 918.242987778 |
| − | AVERAGEMASS 918.8008399999999 | + | AVERAGEMASS 918.8008399999999 |
| − | SMILES c(c7O)cc(cc7)C=CC(=O)OC(C(COC(O6)C(C(O)C(C6C)O)O)1)C(O)C(C(OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(C(O)5)OC(CO)C(O)C(O)5)c(c2)ccc(O)c2O)O1)O | + | SMILES c(c7O)cc(cc7)C=CC(=O)OC(C(COC(O6)C(C(O)C(C6C)O)O)1)C(O)C(C(OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(C(O)5)OC(CO)C(O)C(O)5)c(c2)ccc(O)c2O)O1)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
-1.8707 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8707 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 1.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 1.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2727 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8867 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3431 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3431 2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8867 2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6149 3.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.4102 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6996 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9251 -1.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6996 -2.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4102 -2.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0557 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -2.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7428 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.7428 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
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10 5 1 0 0 0 0
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12 13 2 0 0 0 0
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3 18 1 0 0 0 0
19 15 1 0 0 0 0
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16 21 1 0 0 0 0
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23 24 1 0 0 0 0
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27 26 1 1 0 0 0
27 28 1 0 0 0 0
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23 29 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
24 22 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 42 1 0 0 0 0
42 31 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
30 43 1 0 0 0 0
28 46 1 0 0 0 0
45 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 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
55 56 1 1 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 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 20 1 0 0 0 0
64 65 1 0 0 0 0
60 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^CH2OH
M SBV 1 71 0.5708 -0.5507
S SKP 5
ID FL5FACGA0042
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c7O)cc(cc7)C=CC(=O)OC(C(COC(O6)C(C(O)C(C6C)O)O)1)C(O)C(C(OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(C(O)5)OC(CO)C(O)C(O)5)c(c2)ccc(O)c2O)O1)O
M END
