Mol:FLIAE8NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6996 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6996 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6996 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6996 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1433 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1433 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5870 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5870 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5870 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5870 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1433 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1433 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5256 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5256 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5256 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5256 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0817 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0817 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0817 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0817 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6765 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6765 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2713 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2713 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2713 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2713 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6765 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6765 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3105 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3105 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6881 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6881 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3105 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3105 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5797 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5797 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8652 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9736 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9736 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6881 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6881 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2591 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2591 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9736 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9736 -1.4494 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 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 |
| − | 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 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 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 SBV 1 24 -7.2056 4.3502 | + | M SBV 1 24 -7.2056 4.3502 |
| − | 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 SBV 2 26 -6.4721 5.0948 | + | M SBV 2 26 -6.4721 5.0948 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 28 -7.1866 4.3392 | + | M SBV 3 28 -7.1866 4.3392 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAE8NS0004 | + | ID FLIAE8NS0004 |
| − | KNApSAcK_ID C00009819 | + | KNApSAcK_ID C00009819 |
| − | NAME Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone | + | NAME Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 82869-19-0 | + | CAS_RN 82869-19-0 |
| − | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
| − | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
| − | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
| − | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c(OC)2)cc(OC)cc2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c(OC)2)cc(OC)cc2)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.6996 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5256 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5256 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0817 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0817 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2713 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2713 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6881 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5797 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6881 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2591 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 -1.4494 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 2 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
7 20 2 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
13 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 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -7.2056 4.3502
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 SBV 2 26 -6.4721 5.0948
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SBV 3 28 -7.1866 4.3392
S SKP 8
ID FLIAE8NS0004
KNApSAcK_ID C00009819
NAME Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 82869-19-0
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c(OC)2)cc(OC)cc2)C1=O
M END
