Mol:FL1CECNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0670 0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0670 0.2297 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 24 -6.6319 4.1824 | + | M SBV 1 24 -6.6319 4.1824 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 26 -5.5200 3.9216 | + | M SBV 2 26 -5.5200 3.9216 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CECNS0002 | + | ID FL1CECNS0002 |
| − | KNApSAcK_ID C00007030 | + | KNApSAcK_ID C00007030 |
| − | NAME Agestricin A | + | NAME Agestricin A |
| − | CAS_RN 85563-73-1 | + | CAS_RN 85563-73-1 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O | + | SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0670 0.2297 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
6 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -6.6319 4.1824
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -5.5200 3.9216
S SKP 8
ID FL1CECNS0002
KNApSAcK_ID C00007030
NAME Agestricin A
CAS_RN 85563-73-1
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O
M END
