Mol:FLID1CGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 40 0 0 0 0 0 0 0 0999 V2000 | + | 35 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3550 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3550 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7987 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7987 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2424 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2424 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3137 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3137 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3137 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3137 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8905 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8905 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4672 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4672 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4672 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4672 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8905 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8905 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7985 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7985 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2424 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2424 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8943 -1.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8943 -1.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5949 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5949 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1462 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1462 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1462 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1462 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5949 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5949 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4589 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4589 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1126 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1126 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6141 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6141 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4826 0.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4826 0.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9919 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9919 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0907 -0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0907 -0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6524 -0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6524 -0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3284 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3284 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5292 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5292 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1259 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1259 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7517 -0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7517 -0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5292 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5292 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1259 1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1259 1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9326 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9326 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9919 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9919 0.6801 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 14 12 1 0 0 0 0 | + | 14 12 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 17 1 0 0 0 0 | + | 31 17 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 35 28 1 0 0 0 0 | + | 35 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CGS0004 | + | ID FLID1CGS0004 |
| − | KNApSAcK_ID C00010188 | + | KNApSAcK_ID C00010188 |
| − | NAME Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin | + | NAME Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin |
| − | CAS_RN 60679-70-1 | + | CAS_RN 60679-70-1 |
| − | FORMULA C24H24O11 | + | FORMULA C24H24O11 |
| − | EXACTMASS 488.13186161 | + | EXACTMASS 488.13186161 |
| − | AVERAGEMASS 488.44076 | + | AVERAGEMASS 488.44076 |
| − | SMILES c(c65)(OCO6)cc(C41)c(c5)OC1c(c3OC4)ccc(c3)OC(O2)C(O)C(C(O)C2COC(C)=O)O | + | SMILES c(c65)(OCO6)cc(C41)c(c5)OC1c(c3OC4)ccc(c3)OC(O2)C(O)C(C(O)C2COC(C)=O)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/
35 40 0 0 0 0 0 0 0 0999 V2000
-1.3550 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3137 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 -0.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4672 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7985 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 -1.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1126 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6141 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4826 0.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0907 -0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 -0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3284 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1259 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7517 -0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9326 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 0.6801 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 1 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
14 12 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 17 1 0 0 0 0
28 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
24 35 1 0 0 0 0
35 28 1 0 0 0 0
S SKP 8
ID FLID1CGS0004
KNApSAcK_ID C00010188
NAME Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin
CAS_RN 60679-70-1
FORMULA C24H24O11
EXACTMASS 488.13186161
AVERAGEMASS 488.44076
SMILES c(c65)(OCO6)cc(C41)c(c5)OC1c(c3OC4)ccc(c3)OC(O2)C(O)C(C(O)C2COC(C)=O)O
M END
