Mol:FL2FECNF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8175 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8175 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8175 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8175 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2612 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2612 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7049 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7049 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7049 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7049 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2612 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2612 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1486 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1486 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4077 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4077 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4077 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4077 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1486 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1486 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9638 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9638 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5308 -0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5308 -0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0978 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0978 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0978 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0978 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5308 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5308 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9638 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9638 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1486 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1486 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2612 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2612 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5319 1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5319 1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2532 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2532 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6468 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6468 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3947 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3947 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0336 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0336 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2948 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2948 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5319 -0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5319 -0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8175 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8175 -1.1391 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 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 |
| − | 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 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 29 -8.2822 6.3302 | + | M SBV 1 29 -8.2822 6.3302 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNF0001 | + | ID FL2FECNF0001 |
| − | KNApSAcK_ID C00008312 | + | KNApSAcK_ID C00008312 |
| − | NAME 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone | + | NAME 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone |
| − | CAS_RN 78017-93-3 | + | CAS_RN 78017-93-3 |
| − | FORMULA C19H14O7 | + | FORMULA C19H14O7 |
| − | EXACTMASS 354.073952802 | + | EXACTMASS 354.073952802 |
| − | AVERAGEMASS 354.31026 | + | AVERAGEMASS 354.31026 |
| − | SMILES c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1 | + | SMILES c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.8175 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7049 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7049 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4077 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5308 -0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5308 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5319 1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2532 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6468 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0336 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2948 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5319 -0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 -1.1391 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 29
M SMT 1 ^OCH3
M SBV 1 29 -8.2822 6.3302
S SKP 8
ID FL2FECNF0001
KNApSAcK_ID C00008312
NAME 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
CAS_RN 78017-93-3
FORMULA C19H14O7
EXACTMASS 354.073952802
AVERAGEMASS 354.31026
SMILES c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1
M END
