Mol:FL5FFCNS0030
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5796 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5796 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2184 0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2184 0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0889 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0889 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9550 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9550 -1.8182 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 0.4331 -1.0033 | + | M SVB 1 27 0.4331 -1.0033 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNS0030 | + | ID FL5FFCNS0030 |
| − | KNApSAcK_ID C00005056 | + | KNApSAcK_ID C00005056 |
| − | NAME Wharangin | + | NAME Wharangin |
| − | CAS_RN 571-73-3 | + | CAS_RN 571-73-3 |
| − | FORMULA C17H12O8 | + | FORMULA C17H12O8 |
| − | EXACTMASS 344.05321735999996 | + | EXACTMASS 344.05321735999996 |
| − | AVERAGEMASS 344.27238 | + | AVERAGEMASS 344.27238 |
| − | SMILES COC(C(=O)2)=C(Oc(c43)c(c(O)cc(OCO4)3)2)c(c1)cc(O)c(O)c1 | + | SMILES COC(C(=O)2)=C(Oc(c43)c(c(O)cc(OCO4)3)2)c(c1)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5796 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2184 0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0889 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 -1.8182 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
16 22 1 0 0 0 0
15 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 0.4331 -1.0033
S SKP 8
ID FL5FFCNS0030
KNApSAcK_ID C00005056
NAME Wharangin
CAS_RN 571-73-3
FORMULA C17H12O8
EXACTMASS 344.05321735999996
AVERAGEMASS 344.27238
SMILES COC(C(=O)2)=C(Oc(c43)c(c(O)cc(OCO4)3)2)c(c1)cc(O)c(O)c1
M END
