Mol:FL1C1CNF0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2339 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2339 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5650 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5650 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0087 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0087 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5474 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5474 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1035 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1035 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2255 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2255 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2255 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2255 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6645 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6645 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1035 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1035 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5650 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5650 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2224 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2224 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8448 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8448 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 -0.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 -0.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2224 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2224 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1140 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1140 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3995 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3995 -0.9329 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 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 |
| − | 22 13 1 0 0 0 0 | + | 22 13 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -6.2962 3.7225 | + | M SBV 1 26 -6.2962 3.7225 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CNF0001 | + | ID FL1C1CNF0001 |
| − | KNApSAcK_ID C00007024 | + | KNApSAcK_ID C00007024 |
| − | NAME Ovalitenin C | + | NAME Ovalitenin C |
| − | CAS_RN 75680-32-9 | + | CAS_RN 75680-32-9 |
| − | FORMULA C19H14O5 | + | FORMULA C19H14O5 |
| − | EXACTMASS 322.084123558 | + | EXACTMASS 322.084123558 |
| − | AVERAGEMASS 322.31146 | + | AVERAGEMASS 322.31146 |
| − | SMILES c(O4)(c1)c(OC4)ccc(C=CC(c(c3OC)ccc(c32)occ2)=O)1 | + | SMILES c(O4)(c1)c(OC4)ccc(C=CC(c(c3OC)ccc(c32)occ2)=O)1 |
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 27 0 0 0 0 0 0 0 0999 V2000
-2.2339 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0087 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2255 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2255 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6645 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2224 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2224 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3995 -0.9329 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
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 2 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 13 1 0 0 0 0
3 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 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -6.2962 3.7225
S SKP 8
ID FL1C1CNF0001
KNApSAcK_ID C00007024
NAME Ovalitenin C
CAS_RN 75680-32-9
FORMULA C19H14O5
EXACTMASS 322.084123558
AVERAGEMASS 322.31146
SMILES c(O4)(c1)c(OC4)ccc(C=CC(c(c3OC)ccc(c32)occ2)=O)1
M END
