Mol:FL2FACNP0004
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6569 1.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6569 1.2142 0.0000 O 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNP0004 | + | ID FL2FACNP0004 |
| − | KNApSAcK_ID C00008465 | + | KNApSAcK_ID C00008465 |
| − | NAME Sigmoidin F | + | NAME Sigmoidin F |
| − | CAS_RN 126005-97-8 | + | CAS_RN 126005-97-8 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O | + | SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.4814 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4814 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9188 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3979 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3979 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9188 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1225 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9188 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1225 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0023 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9605 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7256 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2599 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2599 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7256 0.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4110 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4110 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4720 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8529 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0023 0.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 1.2142 0.0000 O 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
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
22 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 8
ID FL2FACNP0004
KNApSAcK_ID C00008465
NAME Sigmoidin F
CAS_RN 126005-97-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c41)(OC(C=C4)(C)C)c(c(CC=C(C)C)c(C(C2)Oc(c3)c(c(cc3O)O)C2=O)c1)O
M END
