Mol:FL6F1CNP0003
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 |
| − | -2.5560 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5560 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5560 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5560 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9997 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9997 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4434 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4434 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4434 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4434 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9997 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9997 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8871 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8871 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3308 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3308 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3308 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3308 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8871 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8871 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2253 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2253 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7923 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7923 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3593 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3593 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3593 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3593 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7923 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7923 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2253 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2253 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1121 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1121 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9263 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9263 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7923 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7923 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9261 -0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9261 -0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9071 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9071 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9071 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9071 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4727 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4727 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4932 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4932 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4932 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4932 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9260 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9260 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0600 -0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0600 -0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0601 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0601 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1121 -0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1121 -0.1762 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNP0003 | + | ID FL6F1CNP0003 |
| − | KNApSAcK_ID C00008790 | + | KNApSAcK_ID C00008790 |
| − | NAME Broussoflavan A | + | NAME Broussoflavan A |
| − | CAS_RN 160262-53-3 | + | CAS_RN 160262-53-3 |
| − | FORMULA C25H30O6 | + | FORMULA C25H30O6 |
| − | EXACTMASS 426.204238692 | + | EXACTMASS 426.204238692 |
| − | AVERAGEMASS 426.5021 | + | AVERAGEMASS 426.5021 |
| − | SMILES C(C1)C(c(c3CC=C(C)C)cc(C(O)4)c(OC(C4O)(C)C)c(O)3)Oc(c2)c(ccc(O)2)1 | + | SMILES C(C1)C(c(c3CC=C(C)C)cc(C(O)4)c(OC(C4O)(C)C)c(O)3)Oc(c2)c(ccc(O)2)1 |
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 34 0 0 0 0 0 0 0 0999 V2000
-2.5560 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5560 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9997 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9997 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3308 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3308 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7923 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3593 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3593 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7923 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1121 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9263 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7923 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9261 -0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4727 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4932 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4932 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9260 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0600 -0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0601 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1121 -0.1762 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 6 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
1 17 1 0 0 0 0
18 14 1 0 0 0 0
15 19 1 0 0 0 0
13 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 18 1 0 0 0 0
20 28 1 0 0 0 0
26 29 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FL6F1CNP0003
KNApSAcK_ID C00008790
NAME Broussoflavan A
CAS_RN 160262-53-3
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES C(C1)C(c(c3CC=C(C)C)cc(C(O)4)c(OC(C4O)(C)C)c(O)3)Oc(c2)c(ccc(O)2)1
M END
