Mol:FLIB2CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3007 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3007 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7548 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7548 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3753 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3753 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5416 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5416 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0874 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0874 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1621 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1621 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3283 -1.7356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.3283 -1.7356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.8741 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8741 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2536 -2.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2536 -2.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9486 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9486 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4342 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4342 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0976 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0976 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2754 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2754 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7897 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7897 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1263 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1263 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6161 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6161 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6736 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6736 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2074 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2074 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9613 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9613 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6105 -0.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6105 -0.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3554 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3554 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1171 0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1171 0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9390 0.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9390 0.1008 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 |
| − | 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.5979 0.5083 | + | M SVB 2 26 -2.5979 0.5083 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.2406 1.678 | + | M SVB 1 24 -2.2406 1.678 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB2CNS0001 | + | ID FLIB2CNS0001 |
| − | KNApSAcK_ID C00009544 | + | KNApSAcK_ID C00009544 |
| − | NAME 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone | + | NAME 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone |
| − | CAS_RN 24195-20-8 | + | CAS_RN 24195-20-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O | + | SMILES c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3007 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7548 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3753 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1621 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3283 -1.7356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.8741 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 -2.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9486 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4342 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0976 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2754 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7897 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1263 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6161 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6736 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2074 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9613 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 -0.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1171 0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9390 0.1008 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
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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.5979 0.5083
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.2406 1.678
S SKP 8
ID FLIB2CNS0001
KNApSAcK_ID C00009544
NAME 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone
CAS_RN 24195-20-8
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O
M END
