Mol:FL1C1AND0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7115 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7115 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0454 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0454 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0454 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0454 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7115 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7115 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3776 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3776 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3776 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3776 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6998 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6998 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6998 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6998 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3365 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3365 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9731 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9731 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9731 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9731 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3219 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3219 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3693 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3693 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0076 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0076 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3219 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3219 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6098 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6098 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2465 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2465 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2465 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2465 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6098 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6098 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5606 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5606 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7729 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7729 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7115 -1.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7115 -1.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1691 0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1691 0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6154 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6154 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0997 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0997 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1765 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1765 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0243 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0243 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7729 0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7729 0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4569 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4569 0.0178 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 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 |
| − | 13 16 2 0 0 0 0 | + | 13 16 2 0 0 0 0 |
| − | 15 8 1 0 0 0 0 | + | 15 8 1 0 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 11 1 0 0 0 0 | + | 20 11 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 6 1 0 0 0 0 | + | 26 6 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1AND0002 | + | ID FL1C1AND0002 |
| − | KNApSAcK_ID C00011145 | + | KNApSAcK_ID C00011145 |
| − | NAME Paratocarpin F | + | NAME Paratocarpin F |
| − | CAS_RN 170662-20-1 | + | CAS_RN 170662-20-1 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(c(c3)ccc(O4)c3C=CC4(C)C)=CC(c(c2)c(O)c(C1)c(c2)OC1C(C)(C)O)=O | + | SMILES C(c(c3)ccc(O4)c3C=CC4(C)C)=CC(c(c2)c(O)c(C1)c(c2)OC1C(C)(C)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.7115 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7115 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6998 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6998 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9731 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9731 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3693 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0076 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6098 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6098 1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5606 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7729 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7115 -1.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6154 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0997 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1765 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0243 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7729 0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4569 0.0178 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
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
13 16 2 0 0 0 0
15 8 1 0 0 0 0
10 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 11 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
1 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 6 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1C1AND0002
KNApSAcK_ID C00011145
NAME Paratocarpin F
CAS_RN 170662-20-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(c(c3)ccc(O4)c3C=CC4(C)C)=CC(c(c2)c(O)c(C1)c(c2)OC1C(C)(C)O)=O
M END
