Mol:FLID3CNI0001
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 |
| − | -1.6809 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6809 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6809 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6809 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1246 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1246 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5683 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5683 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5683 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5683 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1246 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1246 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0120 -0.1280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0120 -0.1280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5443 0.1932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5443 0.1932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5443 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5443 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0120 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0120 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1004 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1004 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1004 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1004 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6952 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6952 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6952 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6952 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0062 -0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0062 -0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2372 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2372 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2370 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2370 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2370 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2370 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 -1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3468 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3468 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9431 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9431 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3468 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3468 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9431 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9431 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8466 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8466 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4102 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4102 2.6295 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 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 |
| − | 6 27 1 0 0 0 0 | + | 6 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 -0.8466 1.7298 | + | M SVB 1 31 -0.8466 1.7298 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3CNI0001 | + | ID FLID3CNI0001 |
| − | KNApSAcK_ID C00009663 | + | KNApSAcK_ID C00009663 |
| − | NAME Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan | + | NAME Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan |
| − | CAS_RN 63343-95-3 | + | CAS_RN 63343-95-3 |
| − | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
| − | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
| − | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
| − | SMILES O(C35)c(c(C3COc(c54)c(c(O)c(CC=C(C)C)c4)OC)2)cc(c(c2)1)OCO1 | + | SMILES O(C35)c(c(C3COc(c54)c(c(O)c(CC=C(C)C)c4)OC)2)cc(c(c2)1)OCO1 |
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
-1.6809 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 -0.1280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5443 0.1932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5443 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 -0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2370 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2370 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3468 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3468 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 2.6295 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 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 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
6 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 -0.8466 1.7298
S SKP 8
ID FLID3CNI0001
KNApSAcK_ID C00009663
NAME Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan
CAS_RN 63343-95-3
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES O(C35)c(c(C3COc(c54)c(c(O)c(CC=C(C)C)c4)OC)2)cc(c(c2)1)OCO1
M END
