Mol:FL2FA9NI0019
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5761 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.5156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.5156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0965 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9334 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9334 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4335 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4335 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.9334 0.1031 | + | M SVB 1 27 -1.9334 0.1031 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0019 | + | ID FL2FA9NI0019 |
| − | KNApSAcK_ID C00008527 | + | KNApSAcK_ID C00008527 |
| − | NAME Tephroleocarpin A | + | NAME Tephroleocarpin A |
| − | CAS_RN 138590-93-9 | + | CAS_RN 138590-93-9 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O | + | SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5761 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.5156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0135 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
6 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 27
M SMT 1 OCH3
M SVB 1 27 -1.9334 0.1031
S SKP 8
ID FL2FA9NI0019
KNApSAcK_ID C00008527
NAME Tephroleocarpin A
CAS_RN 138590-93-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O
M END
