Mol:FLIAALNI0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8761 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8761 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0947 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0947 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0947 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0947 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4322 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4322 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6889 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6889 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2712 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2712 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4322 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4322 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9607 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9607 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8267 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8267 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0826 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0826 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7971 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7971 -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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 0.0826 -1.0369 | + | M SVB 2 30 0.0826 -1.0369 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.3317 -0.7282 | + | M SVB 1 28 1.3317 -0.7282 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0010 | + | ID FLIAALNI0010 |
| − | KNApSAcK_ID C00009881 | + | KNApSAcK_ID C00009881 |
| − | NAME 2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone | + | NAME 2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone |
| − | CAS_RN 126484-17-1 | + | CAS_RN 126484-17-1 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(O2)(c1C(C(c(c3O)cc(c(OC)c3CC=C(C)C)OC)=C2)=O)cc(O)cc1O | + | SMILES c(O2)(c1C(C(c(c3O)cc(c(OC)c3CC=C(C)C)OC)=C2)=O)cc(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.8761 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2712 0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 1.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9607 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8267 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0826 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7971 -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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 0.0826 -1.0369
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.3317 -0.7282
S SKP 8
ID FLIAALNI0010
KNApSAcK_ID C00009881
NAME 2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone
CAS_RN 126484-17-1
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(O2)(c1C(C(c(c3O)cc(c(OC)c3CC=C(C)C)OC)=C2)=O)cc(O)cc1O
M END
