Mol:FL2FACNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8108 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8108 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8108 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8108 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2545 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6982 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6982 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6982 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6982 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2545 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1419 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1419 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5856 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5856 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5856 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5856 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1419 -0.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1419 -0.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0295 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0295 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5375 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5375 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1044 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1044 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1044 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1044 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5375 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5375 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0295 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0295 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1419 -2.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1419 -2.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2545 -2.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 -2.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3669 -0.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3669 -0.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5375 1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5375 1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 0.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 0.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2369 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2369 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8025 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8025 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3669 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8025 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8025 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5963 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5963 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5963 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5963 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1620 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1620 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1620 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1620 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 1.2924 0.0000 C 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0004 | + | ID FL2FACNI0004 |
| − | KNApSAcK_ID C00008319 | + | KNApSAcK_ID C00008319 |
| − | NAME Sigmoidin A | + | NAME Sigmoidin A |
| − | CAS_RN 87746-48-3 | + | CAS_RN 87746-48-3 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3CC=C(C)C)c(c(CC=C(C)C)c(c(O)3)O)C(C1)Oc(c2)c(c(cc2O)O)C1=O | + | SMILES c(c3CC=C(C)C)c(c(CC=C(C)C)c(c(O)3)O)C(C1)Oc(c2)c(c(cc2O)O)C1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.8108 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6982 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -0.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0295 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0295 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -2.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -2.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3669 -0.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 0.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2369 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5963 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5963 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1620 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1620 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 1.2924 0.0000 C 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FACNI0004
KNApSAcK_ID C00008319
NAME Sigmoidin A
CAS_RN 87746-48-3
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3CC=C(C)C)c(c(CC=C(C)C)c(c(O)3)O)C(C1)Oc(c2)c(c(cc2O)O)C1=O
M END
