Mol:FL7AAGGL0062
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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| − | 3.6421 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6421 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.6669 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6669 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9503 -0.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9503 -0.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1557 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1557 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5732 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5732 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1588 -2.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1588 -2.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6742 -1.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6742 -1.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0306 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0306 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8538 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8538 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9917 -3.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9917 -3.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2053 -4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2053 -4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6059 -3.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6059 -3.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3183 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3183 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1050 -2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1050 -2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7041 -3.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7041 -3.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7693 -3.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7693 -3.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7645 -4.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7645 -4.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5096 -4.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5096 -4.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5012 -4.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5012 -4.3395 0.0000 C 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 46 47 1 1 0 0 0 | + | 46 47 1 1 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 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | 48 20 1 0 0 0 0 | + | 48 20 1 0 0 0 0 |
| − | 34 52 1 0 0 0 0 | + | 34 52 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | 59 58 1 1 0 0 0 | + | 59 58 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 58 63 1 0 0 0 0 | + | 58 63 1 0 0 0 0 |
| − | 57 64 1 0 0 0 0 | + | 57 64 1 0 0 0 0 |
| − | 56 65 1 0 0 0 0 | + | 56 65 1 0 0 0 0 |
| − | 60 33 1 0 0 0 0 | + | 60 33 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0062 | + | ID FL7AAGGL0062 |
| − | FORMULA C42H47O23 | + | FORMULA C42H47O23 |
| − | EXACTMASS 919.25081281 | + | EXACTMASS 919.25081281 |
| − | AVERAGEMASS 919.8087800000001 | + | AVERAGEMASS 919.8087800000001 |
| − | SMILES O(C(Oc(c3)c(c5)c([o+1]c(c5OC(O6)C(C(C(O)C6COC(O7)C(C(C(O)C7C)O)O)O)O)c(c4)cc(c(c4O)O)O)cc3O)1)C(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C(O)C1O | + | SMILES O(C(Oc(c3)c(c5)c([o+1]c(c5OC(O6)C(C(C(O)C6COC(O7)C(C(C(O)C7C)O)O)O)O)c(c4)cc(c(c4O)O)O)cc3O)1)C(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C(O)C1O |
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
-0.3696 2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3696 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7738 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7738 2.8000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.2647 2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9792 2.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6936 2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6936 3.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9792 4.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2648 3.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3338 4.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3467 1.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 2.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.9255 -1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6421 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4364 -0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6669 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9503 -0.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1557 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6742 -1.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0306 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 -2.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0576 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3514 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9917 -3.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2053 -4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6059 -3.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3183 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1050 -2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7041 -3.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7693 -3.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 -4.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -4.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5012 -4.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
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10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
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26 18 1 0 0 0 0
34 35 2 0 0 0 0
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36 37 2 0 0 0 0
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39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
33 29 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 20 1 0 0 0 0
34 52 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 1 0 0 0
59 58 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
58 63 1 0 0 0 0
57 64 1 0 0 0 0
56 65 1 0 0 0 0
60 33 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0062
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES O(C(Oc(c3)c(c5)c([o+1]c(c5OC(O6)C(C(C(O)C6COC(O7)C(C(C(O)C7C)O)O)O)O)c(c4)cc(c(c4O)O)O)cc3O)1)C(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C(O)C1O
M END
