Mol:FL6FWXNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6823 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6823 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6823 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6823 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1260 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1260 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5697 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5697 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5697 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5697 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1260 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1260 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0134 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0134 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5429 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5429 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5429 -0.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5429 -0.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0134 -0.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0134 -0.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6659 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6659 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2329 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2329 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2329 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2329 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6659 0.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6659 0.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1260 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1260 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6821 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6821 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6821 1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6821 1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1313 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1313 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2329 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2329 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5625 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5625 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8480 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8480 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0396 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0396 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5396 1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5396 1.1308 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.0396 0.2648 | + | M SVB 2 26 -2.0396 0.2648 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.5625 -1.478 | + | M SVB 1 24 -1.5625 -1.478 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FWXNI0001 | + | ID FL6FWXNI0001 |
| − | KNApSAcK_ID C00008792 | + | KNApSAcK_ID C00008792 |
| − | NAME Tephrowatsin B | + | NAME Tephrowatsin B |
| − | CAS_RN 97640-80-7 | + | CAS_RN 97640-80-7 |
| − | FORMULA C22H24O3 | + | FORMULA C22H24O3 |
| − | EXACTMASS 336.172544634 | + | EXACTMASS 336.172544634 |
| − | AVERAGEMASS 336.42416000000003 | + | AVERAGEMASS 336.42416000000003 |
| − | SMILES C(C)(C)=CCc(c12)c(cc(OC)c(C=C[C@@H](c(c3)cccc3)O2)1)OC | + | SMILES C(C)(C)=CCc(c12)c(cc(OC)c(C=C[C@@H](c(c3)cccc3)O2)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6823 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0134 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -0.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0134 -0.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6659 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2329 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2329 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6659 0.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2329 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5625 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8480 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0396 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5396 1.1308 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 2 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
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
21 19 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.0396 0.2648
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.5625 -1.478
S SKP 8
ID FL6FWXNI0001
KNApSAcK_ID C00008792
NAME Tephrowatsin B
CAS_RN 97640-80-7
FORMULA C22H24O3
EXACTMASS 336.172544634
AVERAGEMASS 336.42416000000003
SMILES C(C)(C)=CCc(c12)c(cc(OC)c(C=C[C@@H](c(c3)cccc3)O2)1)OC
M END
