Mol:FL7AACGA0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 67 73 0 0 0 0 0 0 0 0999 V2000 | + | 67 73 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.3413 -4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3413 -4.5001 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 30 41 1 0 0 0 0 | + | 30 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 41 1 0 0 0 0 | + | 45 41 1 0 0 0 0 |
| − | 47 51 1 0 0 0 0 | + | 47 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 59 64 1 0 0 0 0 | + | 59 64 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 61 66 1 0 0 0 0 | + | 61 66 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 71 0.4989 -0.4636 | + | M SBV 1 71 0.4989 -0.4636 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 66 67 | + | M SAL 2 2 66 67 |
| − | M SBL 2 1 73 | + | M SBL 2 1 73 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 73 0.0020 0.6694 | + | M SBV 2 73 0.0020 0.6694 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGA0011 | + | ID FL7AACGA0011 |
| − | FORMULA C43H49O24 | + | FORMULA C43H49O24 |
| − | EXACTMASS 949.261377496 | + | EXACTMASS 949.261377496 |
| − | AVERAGEMASS 949.83476 | + | AVERAGEMASS 949.83476 |
| − | SMILES Oc(c(OC)1)c(OC)cc(C=CC(OCC(C2O)OC(OCC(O3)C(O)C(O)C(OC(O7)C(O)C(O)C(C7)O)C3Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)C(C2O)O)=O)c1 | + | SMILES Oc(c(OC)1)c(OC)cc(C=CC(OCC(C2O)OC(OCC(O3)C(O)C(O)C(OC(O7)C(O)C(O)C(C7)O)C3Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)C(C2O)O)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
-0.8281 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6013 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1134 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 2.6054 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.7452 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4736 2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 3.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4736 3.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 3.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6904 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.6512 -3.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3952 -3.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7424 -3.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6159 -3.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5470 -2.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1894 -1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3971 -4.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 -4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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
8 9 1 0 0 0 0
9 10 2 0 0 0 0
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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 41 1 0 0 0 0
47 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
64 65 1 0 0 0 0
59 64 1 0 0 0 0
66 67 1 0 0 0 0
61 66 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ OCH3
M SBV 1 71 0.4989 -0.4636
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 66 67
M SBL 2 1 73
M SMT 2 OCH3
M SBV 2 73 0.0020 0.6694
S SKP 5
ID FL7AACGA0011
FORMULA C43H49O24
EXACTMASS 949.261377496
AVERAGEMASS 949.83476
SMILES Oc(c(OC)1)c(OC)cc(C=CC(OCC(C2O)OC(OCC(O3)C(O)C(O)C(OC(O7)C(O)C(O)C(C7)O)C3Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)C(C2O)O)=O)c1
M END
