Mol:FLIFHXNP0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 34 0 0 0 0 0 0 0 0999 V2000 | + | 29 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5899 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5899 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5899 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5899 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4773 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4773 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4773 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4773 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0790 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0790 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6353 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6353 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6353 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6353 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0790 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0790 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1914 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1914 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1914 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1914 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3810 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3810 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3810 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3810 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0790 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0790 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8132 0.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8132 0.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1916 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1916 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6353 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6353 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9290 -2.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9290 -2.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6120 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6120 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8914 -1.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8914 -1.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5899 1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5899 1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1462 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1462 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1462 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1462 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1462 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1462 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8914 1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8914 1.6848 0.0000 C 0 0 0 0 0 0 0 0 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 27 1 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 FLIFHXNP0002 | + | ID FLIFHXNP0002 |
| − | KNApSAcK_ID C00009587 | + | KNApSAcK_ID C00009587 |
| − | NAME Millettosin;12a-Hydroxymillettone | + | NAME Millettosin;12a-Hydroxymillettone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H18O7 | + | FORMULA C22H18O7 |
| − | EXACTMASS 394.10525293 | + | EXACTMASS 394.10525293 |
| − | AVERAGEMASS 394.37412000000006 | + | AVERAGEMASS 394.37412000000006 |
| − | SMILES c(c64)(c(C=5)c(cc6)OC(C5)(C)C)OC(C1(O)C(=O)4)COc(c3)c1cc(c32)OCO2 | + | SMILES c(c64)(c(C=5)c(cc6)OC(C5)(C)C)OC(C1(O)C(=O)4)COc(c3)c1cc(c32)OCO2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 34 0 0 0 0 0 0 0 0999 V2000
-1.5899 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0790 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6353 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6353 0.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0790 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1914 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1914 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0790 -1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8132 0.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1916 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6353 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 -2.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 -1.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8914 1.6848 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
1 2 1 0 0 0 0
6 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 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FLIFHXNP0002
KNApSAcK_ID C00009587
NAME Millettosin;12a-Hydroxymillettone
CAS_RN -
FORMULA C22H18O7
EXACTMASS 394.10525293
AVERAGEMASS 394.37412000000006
SMILES c(c64)(c(C=5)c(cc6)OC(C5)(C)C)OC(C1(O)C(=O)4)COc(c3)c1cc(c32)OCO2
M END
