Mol:FL3FEAGS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0403 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0403 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3392 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3618 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3618 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3618 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3618 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3392 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0629 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0629 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7640 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7640 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7640 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7640 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0629 0.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0629 0.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0629 -1.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0629 -1.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4648 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4648 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1793 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1793 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8937 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8937 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8937 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8937 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1793 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1793 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4648 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4648 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3392 -1.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 -1.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4586 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4586 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7072 0.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7072 0.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9685 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9685 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4036 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4036 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4526 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4526 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1529 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1529 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9945 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9945 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7722 0.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7722 0.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2520 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2520 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6909 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6909 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5009 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5009 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2867 1.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2867 1.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5371 1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5371 1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6618 1.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6618 1.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7722 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7722 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6885 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6885 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9143 -1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9143 -1.9209 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 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 19 23 1 1 0 0 0 | + | 19 23 1 1 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 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 3 29 30 31 | + | M SAL 1 3 29 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 34 0.5064 -0.6023 | + | M SBV 1 34 0.5064 -0.6023 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 -0.7681 -0.4435 | + | M SBV 2 36 -0.7681 -0.4435 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 ^ OCH3 | + | M SMT 3 ^ OCH3 |
| − | M SBV 3 38 0.6482 0.3742 | + | M SBV 3 38 0.6482 0.3742 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0022 | + | ID FL3FEAGS0022 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c(OC(O2)C(O)C(C(O)C2C(O)=O)O)1)OC)O | + | SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c(OC(O2)C(O)C(C(O)C2C(O)=O)O)1)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.0403 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7640 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7640 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 0.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 -1.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1793 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8937 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8937 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1793 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3392 -1.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 0.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9685 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4036 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4526 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1529 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9945 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7722 0.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2520 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6909 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5009 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2867 1.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5371 1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6618 1.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7722 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6885 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9143 -1.9209 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 3 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
21 26 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
19 23 1 1 0 0 0
19 24 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
25 29 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
34 35 1 0 0 0 0
2 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 29 30 31
M SBL 1 1 34
M SMT 1 ^ COOH
M SBV 1 34 0.5064 -0.6023
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.7681 -0.4435
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 38
M SMT 3 ^ OCH3
M SBV 3 38 0.6482 0.3742
S SKP 5
ID FL3FEAGS0022
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c(OC(O2)C(O)C(C(O)C2C(O)=O)O)1)OC)O
M END
