Mol:FLIAABNP0002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8875 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8875 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8875 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8875 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7749 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7749 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7749 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7749 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2186 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2186 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2186 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2186 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8938 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8938 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8938 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8938 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4886 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4886 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0834 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0834 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0834 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0834 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4886 -0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4886 -0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2186 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2186 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8875 1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8875 1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0348 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0348 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7928 1.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7928 1.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9494 -1.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9494 -1.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8155 -2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8155 -2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 8 9 2 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.3203 -1.506 | + | M SVB 1 28 2.3203 -1.506 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAABNP0002 | + | ID FLIAABNP0002 |
| − | KNApSAcK_ID C00009496 | + | KNApSAcK_ID C00009496 |
| − | NAME 4'-O-Methylderrone | + | NAME 4'-O-Methylderrone |
| − | CAS_RN 104703-99-3 | + | CAS_RN 104703-99-3 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES c(c14)(OC=C(C4=O)c(c3)ccc(OC)c3)c(C=2)c(OC(C2)(C)C)cc1O | + | SMILES c(c14)(OC=C(C4=O)c(c3)ccc(OC)c3)c(C=2)c(OC(C2)(C)C)cc1O |
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 29 0 0 0 0 0 0 0 0999 V2000
-1.8875 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2186 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2186 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8938 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8938 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4886 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0834 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0834 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4886 -0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2186 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0348 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7928 1.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 -1.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8155 -2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.3203 -1.506
S SKP 8
ID FLIAABNP0002
KNApSAcK_ID C00009496
NAME 4'-O-Methylderrone
CAS_RN 104703-99-3
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES c(c14)(OC=C(C4=O)c(c3)ccc(OC)c3)c(C=2)c(OC(C2)(C)C)cc1O
M END
