Mol:FL4DACNI0002
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 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8367 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8367 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3158 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3158 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7950 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7950 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7950 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7950 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3158 -0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3158 -0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8367 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8367 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2741 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2741 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2468 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2468 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2468 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2468 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2741 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2741 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2741 -1.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2741 -1.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3158 -1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3158 -1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8309 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8309 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3528 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3528 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8747 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8747 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8747 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8747 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3528 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3528 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8309 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8309 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3966 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3966 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3528 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3528 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7829 -1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7829 -1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3966 -0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3966 -0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3158 0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3158 0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8362 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8362 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8362 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8362 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3566 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3566 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3158 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3158 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3093 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3093 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3093 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3093 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2110 1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2110 1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2110 2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2110 2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7314 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7314 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3528 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3528 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8744 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8744 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8744 -1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8744 -1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3936 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3936 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3552 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3552 -2.2556 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 18 28 1 0 0 0 0 | + | 18 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNI0002 | + | ID FL4DACNI0002 |
| − | KNApSAcK_ID C00008638 | + | KNApSAcK_ID C00008638 |
| − | NAME Petalostemumol | + | NAME Petalostemumol |
| − | CAS_RN 152253-68-4 | + | CAS_RN 152253-68-4 |
| − | FORMULA C30H36O7 | + | FORMULA C30H36O7 |
| − | EXACTMASS 508.246103506 | + | EXACTMASS 508.246103506 |
| − | AVERAGEMASS 508.60264000000006 | + | AVERAGEMASS 508.60264000000006 |
| − | SMILES C(Cc(c(C(O2)C(C(c(c(O)3)c2c(CC=C(C)C)c(O)c3)=O)O)1)cc(O)c(O)c1CC=C(C)C)=C(C)C | + | SMILES C(Cc(c(C(O2)C(C(c(c(O)3)c2c(CC=C(C)C)c(O)c3)=O)O)1)cc(O)c(O)c1CC=C(C)C)=C(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 39 0 0 0 0 0 0 0 0999 V2000
-1.8367 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 -0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8367 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2468 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2468 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 -1.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 -1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8747 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8747 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3966 0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 -1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3966 -0.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8362 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8362 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3566 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2110 1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2110 2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7314 1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 -1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3936 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -2.2556 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
20 17 1 0 0 0 0
8 21 1 1 0 0 0
22 6 1 0 0 0 0
5 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
18 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL4DACNI0002
KNApSAcK_ID C00008638
NAME Petalostemumol
CAS_RN 152253-68-4
FORMULA C30H36O7
EXACTMASS 508.246103506
AVERAGEMASS 508.60264000000006
SMILES C(Cc(c(C(O2)C(C(c(c(O)3)c2c(CC=C(C)C)c(O)c3)=O)O)1)cc(O)c(O)c1CC=C(C)C)=C(C)C
M END
