Mol:FL2FALNP0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6376 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6376 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6376 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6376 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0813 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0813 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5250 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5250 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5250 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5250 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0813 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0813 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0313 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0313 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5876 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5876 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5876 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5876 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0313 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0313 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1437 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1437 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7106 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7106 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2776 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2776 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2776 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2776 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7106 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7106 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1437 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1437 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0313 -2.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0313 -2.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0813 -2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0813 -2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8444 0.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8444 0.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8446 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8446 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2776 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2776 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7106 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7106 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3280 1.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3280 1.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3692 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3692 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1939 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1939 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7502 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7502 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7502 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7502 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1939 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1939 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3692 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3692 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2680 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2680 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0813 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0813 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7031 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7031 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7031 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7031 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3247 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3247 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0815 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2776 2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2776 2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7106 -1.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7106 -1.3278 0.0000 O 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 2 1 0 0 0 0 | + | 28 2 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 21 36 1 0 0 0 0 | + | 21 36 1 0 0 0 0 |
| − | 12 37 1 0 0 0 0 | + | 12 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0008 | + | ID FL2FALNP0008 |
| − | KNApSAcK_ID C00008370 | + | KNApSAcK_ID C00008370 |
| − | NAME Flemichin E | + | NAME Flemichin E |
| − | CAS_RN 72782-82-2 | + | CAS_RN 72782-82-2 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES CC(C)(C5O)Oc(c4)c(C5)cc(c4O)C(O1)CC(=O)c(c3O)c1c(CC=C(C)C)c(c32)OC(C=C2)(C)C | + | SMILES CC(C)(C5O)Oc(c4)c(C5)cc(c4O)C(O1)CC(=O)c(c3O)c1c(CC=C(C)C)c(c32)OC(C=C2)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
-1.6376 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6376 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5250 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5250 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0313 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5876 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5876 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0313 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0313 -2.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 -2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8444 0.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8446 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3280 1.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3692 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7502 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7502 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3692 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2680 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 -1.3278 0.0000 O 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 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 2 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
6 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
21 36 1 0 0 0 0
12 37 1 0 0 0 0
S SKP 8
ID FL2FALNP0008
KNApSAcK_ID C00008370
NAME Flemichin E
CAS_RN 72782-82-2
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES CC(C)(C5O)Oc(c4)c(C5)cc(c4O)C(O1)CC(=O)c(c3O)c1c(CC=C(C)C)c(c32)OC(C=C2)(C)C
M END
