Mol:FL1B19NF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2147 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2147 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6211 -1.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6211 -1.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2247 0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2247 0.3798 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 4 1 0 0 0 0 | + | 20 4 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 0.959 -0.0978 | + | M SVB 1 24 0.959 -0.0978 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1B19NF0001 | + | ID FL1B19NF0001 |
| − | KNApSAcK_ID C00008072 | + | KNApSAcK_ID C00008072 |
| − | NAME Castillene A | + | NAME Castillene A |
| − | CAS_RN 126585-60-2 | + | CAS_RN 126585-60-2 |
| − | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
| − | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
| − | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
| − | SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)=O)OC)c(c1)cccc1 | + | SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)=O)OC)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2147 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6211 -1.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2247 0.3798 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
7 10 2 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 4 1 0 0 0 0
8 21 1 0 0 0 0
21 22 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 24
M SMT 1 OCH3
M SVB 1 24 0.959 -0.0978
S SKP 8
ID FL1B19NF0001
KNApSAcK_ID C00008072
NAME Castillene A
CAS_RN 126585-60-2
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)=O)OC)c(c1)cccc1
M END
