Mol:FL6DAGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6989 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6989 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6989 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6989 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1426 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1426 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5863 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5863 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5863 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5863 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1426 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1426 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0300 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0300 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4737 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4737 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4737 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4737 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0300 0.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0300 0.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0824 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0824 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6494 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6494 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2163 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2163 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2163 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2163 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6494 1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6494 1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0824 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0824 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0300 -1.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0300 -1.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2538 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2538 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7832 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7832 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1426 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1426 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0098 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0098 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6494 1.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6494 1.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7832 -0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7832 -0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3267 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3267 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0259 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0259 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6044 -1.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6044 -1.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1863 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1863 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4872 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4872 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9087 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9087 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7680 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7680 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1469 -0.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1469 -0.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9213 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9213 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5393 -1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5393 -1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2538 -1.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2538 -1.9018 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 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 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 36 -4.2599 4.0547 | + | M SBV 1 36 -4.2599 4.0547 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DAGGS0001 | + | ID FL6DAGGS0001 |
| − | KNApSAcK_ID C00009020 | + | KNApSAcK_ID C00009020 |
| − | NAME Diospyrin | + | NAME Diospyrin |
| − | CAS_RN 27838-81-9 | + | CAS_RN 27838-81-9 |
| − | FORMULA C21H24O13 | + | FORMULA C21H24O13 |
| − | EXACTMASS 484.121690854 | + | EXACTMASS 484.121690854 |
| − | AVERAGEMASS 484.40746 | + | AVERAGEMASS 484.40746 |
| − | SMILES O(C(C3c(c4)cc(O)c(O)c(O)4)C(O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C3c(c4)cc(O)c(O)c(O)4)C(O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.6989 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6989 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5863 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5863 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4737 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4737 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 0.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6494 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2163 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2163 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6494 1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 -1.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2538 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7832 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0098 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6494 1.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7832 -0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3267 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -1.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4872 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9087 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7680 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 -0.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9213 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5393 -1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2538 -1.9018 0.0000 O 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 1 0 0 0 0
9 10 1 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
7 17 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
13 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
28 32 1 0 0 0 0
21 25 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 CH2OH
M SBV 1 36 -4.2599 4.0547
S SKP 8
ID FL6DAGGS0001
KNApSAcK_ID C00009020
NAME Diospyrin
CAS_RN 27838-81-9
FORMULA C21H24O13
EXACTMASS 484.121690854
AVERAGEMASS 484.40746
SMILES O(C(C3c(c4)cc(O)c(O)c(O)4)C(O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M END
