Mol:FL4DA9NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5761 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0965 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5095 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5095 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7951 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7951 -1.3454 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -8.2401 4.5248 | + | M SBV 1 22 -8.2401 4.5248 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0003 | + | ID FL4DA9NS0003 |
| − | KNApSAcK_ID C00008548 | + | KNApSAcK_ID C00008548 |
| − | NAME Pinobanksin 5-methyl ether | + | NAME Pinobanksin 5-methyl ether |
| − | CAS_RN 119309-36-3 | + | CAS_RN 119309-36-3 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)C(O)1 | + | SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7951 -1.3454 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 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -8.2401 4.5248
S SKP 8
ID FL4DA9NS0003
KNApSAcK_ID C00008548
NAME Pinobanksin 5-methyl ether
CAS_RN 119309-36-3
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cccc2)C(O)1
M END
