Mol:FLID1CNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.7352 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7352 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1404 -1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1404 -1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5610 -2.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5610 -2.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 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 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNI0002 | + | ID FLID1CNI0002 |
| − | KNApSAcK_ID C00009673 | + | KNApSAcK_ID C00009673 |
| − | NAME Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan | + | NAME Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan |
| − | CAS_RN 66446-94-4 | + | CAS_RN 66446-94-4 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES c(c41)c(O5)c(OC5)cc1C(C3)C(O4)c(c(O3)2)ccc(c2CC=C(CCC=C(C)C)C)O | + | SMILES c(c41)c(O5)c(OC5)cc1C(C3)C(O4)c(c(O3)2)ccc(c2CC=C(CCC=C(C)C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-2.2357 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 -1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -2.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -3.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7920 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7920 -0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 1.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 2.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6940 3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 1.0258 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
6 18 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
22 1 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
24 31 1 0 0 0 0
S SKP 8
ID FLID1CNI0002
KNApSAcK_ID C00009673
NAME Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan
CAS_RN 66446-94-4
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES c(c41)c(O5)c(OC5)cc1C(C3)C(O4)c(c(O3)2)ccc(c2CC=C(CCC=C(C)C)C)O
M END
