Mol:FL1CDCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4502 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4502 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3376 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3376 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7813 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2250 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2250 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3311 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3311 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0092 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0092 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7813 -0.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -0.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 -1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6253 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0061 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0061 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6253 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0061 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0061 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7815 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7815 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0670 0.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0670 0.4205 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 23 -6.6319 4.3731 | + | M SBV 1 23 -6.6319 4.3731 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 25 -5.5200 4.1123 | + | M SBV 2 25 -5.5200 4.1123 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CDCNS0001 | + | ID FL1CDCNS0001 |
| − | KNApSAcK_ID C00007029 | + | KNApSAcK_ID C00007029 |
| − | NAME Tephrone | + | NAME Tephrone |
| − | CAS_RN 84161-84-2 | + | CAS_RN 84161-84-2 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2)(O)cc(OC)cc1OC | + | SMILES c(c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2)(O)cc(OC)cc1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.4502 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4502 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2250 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3311 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -0.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7815 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0670 0.4205 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 13 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
5 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 ^OCH3
M SBV 1 23 -6.6319 4.3731
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SBV 2 25 -5.5200 4.1123
S SKP 8
ID FL1CDCNS0001
KNApSAcK_ID C00007029
NAME Tephrone
CAS_RN 84161-84-2
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2)(O)cc(OC)cc1OC
M END
