Mol:FLID3CNI0002
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 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 |
| − | -2.2370 -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 |
| − | -2.0382 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0382 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5382 2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5382 2.3203 0.0000 C 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 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 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 32 -0.8466 1.7298 | + | M SVB 2 32 -0.8466 1.7298 |
| − | 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 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 -2.0382 1.4543 | + | M SVB 1 30 -2.0382 1.4543 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3CNI0002 | + | ID FLID3CNI0002 |
| − | KNApSAcK_ID C00009670 | + | KNApSAcK_ID C00009670 |
| − | NAME Neoraucarpan;3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan | + | NAME Neoraucarpan;3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan |
| − | CAS_RN 63343-92-0 | + | CAS_RN 63343-92-0 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c(CC=C(C)C)5)c(C41)c(c(OC)c(OC)5)OCC(c(c3)c(O4)cc(c32)OCO2)1 | + | SMILES c(c(CC=C(C)C)5)c(C41)c(c(OC)c(OC)5)OCC(c(c3)c(O4)cc(c32)OCO2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 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
-2.2370 -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
-2.0382 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5382 2.3203 0.0000 C 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
2 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 15 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
6 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 32
M SMT 2 OCH3
M SVB 2 32 -0.8466 1.7298
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -2.0382 1.4543
S SKP 8
ID FLID3CNI0002
KNApSAcK_ID C00009670
NAME Neoraucarpan;3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan
CAS_RN 63343-92-0
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c(CC=C(C)C)5)c(C41)c(c(OC)c(OC)5)OCC(c(c3)c(O4)cc(c32)OCO2)1
M END
