Mol:FLIFUNNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6628 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6628 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9768 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9768 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9768 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9768 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6628 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6628 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3489 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3489 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3489 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3489 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3761 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3761 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2357 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2357 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4801 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4801 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2357 -1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2357 -1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1343 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1343 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7885 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7885 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7885 0.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7885 0.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1343 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1343 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4801 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4801 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1343 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1343 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7885 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7885 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4428 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4428 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4428 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4428 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9518 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9518 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6031 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6031 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7885 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7885 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4734 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4734 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6628 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6628 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3640 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3640 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0652 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0652 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0652 1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0652 1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4114 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4114 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6031 1.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6031 1.7192 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 9 1 0 0 0 0 | + | 15 9 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 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 12 1 0 0 0 0 | + | 19 12 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 5 1 0 0 0 0 | + | 27 5 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFUNNF0001 | + | ID FLIFUNNF0001 |
| − | KNApSAcK_ID C00011149 | + | KNApSAcK_ID C00011149 |
| − | NAME 7a-O-Methyldeguelol | + | NAME 7a-O-Methyldeguelol |
| − | CAS_RN 851606-54-7 | + | CAS_RN 851606-54-7 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c2)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(O)c(c12)C=CC(O1)(C)C | + | SMILES c(c2)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(O)c(c12)C=CC(O1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6628 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6628 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2357 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2357 -1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7885 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7885 0.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7885 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9518 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6031 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7885 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4734 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6628 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4114 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6031 1.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 7 1 0 0 0 0
2 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 9 1 0 0 0 0
11 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 12 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 5 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FLIFUNNF0001
KNApSAcK_ID C00011149
NAME 7a-O-Methyldeguelol
CAS_RN 851606-54-7
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c2)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(O)c(c12)C=CC(O1)(C)C
M END
