Mol:FL5F1CNP0001
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 |
| − | -1.9052 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7926 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7926 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3200 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3200 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3200 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3200 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8761 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8761 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4431 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4431 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0101 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0101 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0101 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0101 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4431 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4431 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8761 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8761 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3489 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3489 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0176 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0176 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6327 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6327 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0176 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0176 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6327 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6327 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1860 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1860 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0520 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0520 -1.7130 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 |
| − | 8 27 1 0 0 0 0 | + | 8 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 SVB 1 31 0.5189 -0.9193 | + | M SVB 1 31 0.5189 -0.9193 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNP0001 | + | ID FL5F1CNP0001 |
| − | KNApSAcK_ID C00005082 | + | KNApSAcK_ID C00005082 |
| − | NAME Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 22037-31-6 | + | CAS_RN 22037-31-6 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(c54)c(ccc4OCO5)C(=C1OC)Oc(c32)c(ccc2OC(C=C3)(C)C)C1=O | + | SMILES c(c54)c(ccc4OCO5)C(=C1OC)Oc(c32)c(ccc2OC(C=C3)(C)C)C1=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
-1.9052 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3200 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3200 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8761 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4431 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0101 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0101 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4431 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8761 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0176 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0176 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1860 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 -1.7130 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
8 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 SVB 1 31 0.5189 -0.9193
S SKP 8
ID FL5F1CNP0001
KNApSAcK_ID C00005082
NAME Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 22037-31-6
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(c54)c(ccc4OCO5)C(=C1OC)Oc(c32)c(ccc2OC(C=C3)(C)C)C1=O
M END
