Mol:FL3FF8NS0006
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7790 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6451 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6451 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1451 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1451 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9447 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5082 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5082 1.6179 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -0.9447 0.7182 | + | M SVB 3 26 -0.9447 0.7182 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.1362 0.4428 | + | M SVB 2 24 -2.1362 0.4428 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.6451 1.4185 | + | M SVB 1 22 0.6451 1.4185 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF8NS0006 | + | ID FL3FF8NS0006 |
| − | KNApSAcK_ID C00003899 | + | KNApSAcK_ID C00003899 |
| − | NAME Wightin | + | NAME Wightin |
| − | CAS_RN 4825-18-7 | + | CAS_RN 4825-18-7 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c(OC)3)cccc3O)=C2)1)O | + | SMILES c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c(OC)3)cccc3O)=C2)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7790 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9447 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5082 1.6179 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
16 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -0.9447 0.7182
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.1362 0.4428
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.6451 1.4185
S SKP 8
ID FL3FF8NS0006
KNApSAcK_ID C00003899
NAME Wightin
CAS_RN 4825-18-7
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c(OC)3)cccc3O)=C2)1)O
M END
