Mol:FL3FALNP0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3800 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8452 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8452 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8452 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8452 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 -1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 -1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0487 1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0487 1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -1.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -1.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0487 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0487 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4115 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4115 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3316 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3316 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3316 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3316 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9044 2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9044 2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7589 2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7589 2.4624 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 26 1 0 0 0 0 | + | 32 26 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0010 | + | ID FL3FALNP0010 |
| − | KNApSAcK_ID C00004064 | + | KNApSAcK_ID C00004064 |
| − | NAME Cycloheterophyllin | + | NAME Cycloheterophyllin |
| − | CAS_RN 36545-53-6 | + | CAS_RN 36545-53-6 |
| − | FORMULA C30H30O7 | + | FORMULA C30H30O7 |
| − | EXACTMASS 502.199153314 | + | EXACTMASS 502.199153314 |
| − | AVERAGEMASS 502.55500000000006 | + | AVERAGEMASS 502.55500000000006 |
| − | SMILES c(c54)(cc(O)c(c5)O)OC(C=C(C)C)C(=C43)C(c(c2O3)c(c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)O)=O | + | SMILES c(c54)(cc(O)c(c5)O)OC(C=C(C)C)C(=C43)C(c(c2O3)c(c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)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/
37 41 0 0 0 0 0 0 0 0999 V2000
-1.3800 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 -1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -1.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4115 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3316 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3316 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9044 2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7589 2.4624 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
13 30 1 0 0 0 0
16 31 1 0 0 0 0
8 32 1 0 0 0 0
30 32 1 0 0 0 0
32 26 1 0 0 0 0
6 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL3FALNP0010
KNApSAcK_ID C00004064
NAME Cycloheterophyllin
CAS_RN 36545-53-6
FORMULA C30H30O7
EXACTMASS 502.199153314
AVERAGEMASS 502.55500000000006
SMILES c(c54)(cc(O)c(c5)O)OC(C=C(C)C)C(=C43)C(c(c2O3)c(c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)O)=O
M END
