Mol:FLIDBBNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6282 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 0.1585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0407 0.1585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 0.4797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5970 0.4797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5970 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1845 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1845 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2941 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2941 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5083 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5083 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7939 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7939 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2087 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2087 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0748 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0748 -1.5282 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 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 2.5796 -0.7344 | + | M SVB 2 29 2.5796 -0.7344 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.5083 -0.0020 | + | M SVB 1 27 -1.5083 -0.0020 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBBNI0001 | + | ID FLIDBBNI0001 |
| − | KNApSAcK_ID C00009659 | + | KNApSAcK_ID C00009659 |
| − | NAME Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan | + | NAME Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan |
| − | CAS_RN 37706-55-1 | + | CAS_RN 37706-55-1 |
| − | FORMULA C22H24O5 | + | FORMULA C22H24O5 |
| − | EXACTMASS 368.162373878 | + | EXACTMASS 368.162373878 |
| − | AVERAGEMASS 368.42296000000005 | + | AVERAGEMASS 368.42296000000005 |
| − | SMILES c(c4)(c(c(OC)c(c4O)CC=C(C)C)3)OCC(C31)c(c2)c(cc(c2)OC)O1 | + | SMILES c(c4)(c(c(OC)c(c4O)CC=C(C)C)3)OCC(C31)c(c2)c(cc(c2)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 0.1585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5970 0.4797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5970 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1845 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5083 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2087 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0748 -1.5282 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
3 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 2.5796 -0.7344
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.5083 -0.0020
S SKP 8
ID FLIDBBNI0001
KNApSAcK_ID C00009659
NAME Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan
CAS_RN 37706-55-1
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES c(c4)(c(c(OC)c(c4O)CC=C(C)C)3)OCC(C31)c(c2)c(cc(c2)OC)O1
M END
