Mol:FL1C1CNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6606 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6606 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6505 -1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6505 -1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3297 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3297 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0189 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0189 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0290 -2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0290 -2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3498 -2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3498 -2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 -1.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 -1.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8835 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8835 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0976 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0976 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0873 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0873 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5793 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5793 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5890 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5890 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0678 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0678 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7344 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7344 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7441 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7441 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3144 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3144 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6440 -2.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6440 -2.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 -0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 -0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5330 -1.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5330 -1.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2438 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2438 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8296 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8296 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4079 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4079 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8218 -0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8218 -0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0593 2.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0593 2.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9027 1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9027 1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9027 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9027 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5670 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5670 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2554 1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2554 1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9619 2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9619 2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7477 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7477 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7477 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7477 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4079 2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4079 2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4359 1.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4359 1.3211 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 11 25 1 0 0 0 0 | + | 11 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 12 1 0 0 0 0 | + | 28 12 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNP0002 | + | ID FL1C1CNP0002 |
| − | KNApSAcK_ID C00011162 | + | KNApSAcK_ID C00011162 |
| − | NAME Poinsettifolin B | + | NAME Poinsettifolin B |
| − | CAS_RN 211183-25-4 | + | CAS_RN 211183-25-4 |
| − | FORMULA C30H34O5 | + | FORMULA C30H34O5 |
| − | EXACTMASS 474.240624198 | + | EXACTMASS 474.240624198 |
| − | AVERAGEMASS 474.58796000000007 | + | AVERAGEMASS 474.58796000000007 |
| − | SMILES c(c3)c(c(O)c(CC=C(C)C)c3O)C(=O)C=Cc(c12)ccc(O)c1OC(C=C2)(CCC=C(C)C)C | + | SMILES c(c3)c(c(O)c(CC=C(C)C)c3O)C(=O)C=Cc(c12)ccc(O)c1OC(C=C2)(CCC=C(C)C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-1.6606 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6505 -1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0189 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0290 -2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3498 -2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 -1.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8835 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0976 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0873 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5793 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5890 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3144 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6440 -2.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5330 -1.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2438 -1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8296 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4079 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8218 -0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0593 2.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 1.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5670 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2554 1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9619 2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7477 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7477 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4079 2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4359 1.3211 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
2 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
3 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
11 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 12 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
27 35 1 0 0 0 0
S SKP 8
ID FL1C1CNP0002
KNApSAcK_ID C00011162
NAME Poinsettifolin B
CAS_RN 211183-25-4
FORMULA C30H34O5
EXACTMASS 474.240624198
AVERAGEMASS 474.58796000000007
SMILES c(c3)c(c(O)c(CC=C(C)C)c3O)C(=O)C=Cc(c12)ccc(O)c1OC(C=C2)(CCC=C(C)C)C
M END
