Mol:FL6F1ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6292 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6292 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 21 -6.7371 4.1099 | + | M SBV 1 21 -6.7371 4.1099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1ANS0001 | + | ID FL6F1ANS0001 |
| − | KNApSAcK_ID C00000943 | + | KNApSAcK_ID C00000943 |
| − | NAME Broussin | + | NAME Broussin |
| − | CAS_RN 76045-50-6 | + | CAS_RN 76045-50-6 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C1 | + | SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -6.7371 4.1099
S SKP 8
ID FL6F1ANS0001
KNApSAcK_ID C00000943
NAME Broussin
CAS_RN 76045-50-6
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c3)ccc(c3)C([H])(C1)Oc(c2)c(ccc(O)2)C1
M END
