Mol:FL3F2CNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8717 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8717 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8717 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8717 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3154 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3154 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7591 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7591 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7591 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7591 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3154 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3154 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2028 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2028 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3535 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3535 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3535 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3535 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2028 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2028 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2028 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2028 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9096 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9096 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4765 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4765 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4765 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4765 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9096 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9096 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3154 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3154 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8717 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8717 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4280 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4280 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4280 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4280 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0510 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0510 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8234 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8234 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6662 0.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6662 0.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0510 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0510 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6662 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6662 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5862 -0.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5862 -0.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8717 -1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8717 -1.0554 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 |
| − | 6 18 1 0 0 0 0 | + | 6 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -8.4396 3.9801 | + | M SBV 1 31 -8.4396 3.9801 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F2CNP0001 | + | ID FL3F2CNP0001 |
| − | KNApSAcK_ID C00004046 | + | KNApSAcK_ID C00004046 |
| − | NAME Isopongachromene | + | NAME Isopongachromene |
| − | CAS_RN 86894-36-2 | + | CAS_RN 86894-36-2 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(O5)(c4OC5)cc(cc4)C(O1)=CC(c(c3)c(c(c(c3OC)2)C=CC(O2)(C)C)1)=O | + | SMILES c(O5)(c4OC5)cc(cc4)C(O1)=CC(c(c3)c(c(c(c3OC)2)C=CC(O2)(C)C)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.8717 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8717 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7591 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7591 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2028 -1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2028 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2028 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9096 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4765 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4765 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9096 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8717 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4280 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4280 0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0510 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8234 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6662 0.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0510 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6662 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 -0.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8717 -1.0554 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -8.4396 3.9801
S SKP 8
ID FL3F2CNP0001
KNApSAcK_ID C00004046
NAME Isopongachromene
CAS_RN 86894-36-2
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(O5)(c4OC5)cc(cc4)C(O1)=CC(c(c3)c(c(c(c3OC)2)C=CC(O2)(C)C)1)=O
M END
