Mol:FL2F19NC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 40 0 0 0 0 0 0 0 0999 V2000 | + | 36 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0998 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0998 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6128 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6128 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0966 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0966 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6202 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6202 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 -1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 -1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3291 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3291 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0491 -1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0491 -1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7617 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7617 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7581 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7581 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0418 -0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0418 -0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4118 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4118 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1279 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1279 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8408 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8408 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8376 0.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8376 0.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1215 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1215 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4087 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4087 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0502 -2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0502 -2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8158 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8158 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6128 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6128 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2803 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2803 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0253 1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0253 1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2003 1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2003 1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0546 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0546 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6434 0.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6434 0.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3579 2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3579 2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3579 1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3579 1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0724 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0724 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3608 2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3608 2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2977 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2977 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7645 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7645 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4118 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4118 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1263 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1263 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8408 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8408 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8408 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8408 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1263 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1263 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4118 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4118 -0.0221 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 2 1 6 0 0 0 | + | 19 2 1 6 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 23 24 1 6 0 0 0 | + | 23 24 1 6 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NC0003 | + | ID FL2F19NC0003 |
| − | KNApSAcK_ID C00014302 | + | KNApSAcK_ID C00014302 |
| − | NAME (+)-Tephrorin B;Tephrorin B | + | NAME (+)-Tephrorin B;Tephrorin B |
| − | CAS_RN 261767-63-9 | + | CAS_RN 261767-63-9 |
| − | FORMULA C30H28O6 | + | FORMULA C30H28O6 |
| − | EXACTMASS 484.188588628 | + | EXACTMASS 484.188588628 |
| − | AVERAGEMASS 484.53972000000005 | + | AVERAGEMASS 484.53972000000005 |
| − | SMILES O(C(c(c5)cccc5)1)c(c2C(C3)C(OC(=O)C=Cc(c4)cccc4)C(O3)(C)C)c(ccc2O)C(=O)C1 | + | SMILES O(C(c(c5)cccc5)1)c(c2C(C3)C(OC(=O)C=Cc(c4)cccc4)C(O3)(C)C)c(ccc2O)C(=O)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
-0.0998 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6128 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0966 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6202 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 -1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0491 -1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7617 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7581 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 -0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4118 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1279 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8408 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8376 0.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1215 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4087 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0502 -2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8158 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6128 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2803 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0253 1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2003 1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0546 1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 0.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3579 2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3579 1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0724 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3608 2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2977 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7645 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4118 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1263 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8408 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8408 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1263 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4118 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
19 2 1 6 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 23 1 0 0 0 0
23 19 1 0 0 0 0
23 24 1 6 0 0 0
24 26 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
22 28 1 0 0 0 0
22 29 1 0 0 0 0
27 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 31 1 0 0 0 0
S SKP 8
ID FL2F19NC0003
KNApSAcK_ID C00014302
NAME (+)-Tephrorin B;Tephrorin B
CAS_RN 261767-63-9
FORMULA C30H28O6
EXACTMASS 484.188588628
AVERAGEMASS 484.53972000000005
SMILES O(C(c(c5)cccc5)1)c(c2C(C3)C(OC(=O)C=Cc(c4)cccc4)C(O3)(C)C)c(ccc2O)C(=O)C1
M END
