Mol:FLID1CNI0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6809 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6809 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6809 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6809 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1246 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1246 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5683 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5683 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5683 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5683 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1246 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1246 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0120 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0120 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5443 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5443 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5443 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5443 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0120 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0120 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1004 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1004 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1004 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1004 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6952 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6952 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6952 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6952 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0062 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0062 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2372 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2372 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9431 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9431 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9431 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9431 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.2370 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2370 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.7919 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3468 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3468 -0.4821 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNI0001 | + | ID FLID1CNI0001 |
| − | KNApSAcK_ID C00009651 | + | KNApSAcK_ID C00009651 |
| − | NAME Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan | + | NAME Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan |
| − | CAS_RN 33909-74-9 | + | CAS_RN 33909-74-9 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES c(C35)(c(OC3c(c(OC5)4)cc(c(O)c4)CC=C(C)C)1)cc(O2)c(OC2)c1 | + | SMILES c(C35)(c(OC3c(c(OC5)4)cc(c(O)c4)CC=C(C)C)1)cc(O2)c(OC2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.6809 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1004 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9431 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2370 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2370 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3468 -0.4821 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
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLID1CNI0001
KNApSAcK_ID C00009651
NAME Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan
CAS_RN 33909-74-9
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(C35)(c(OC3c(c(OC5)4)cc(c(O)c4)CC=C(C)C)1)cc(O2)c(OC2)c1
M END
