Mol:FL4DDANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9244 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9244 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1591 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2817 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2817 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7818 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7818 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8578 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8578 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1434 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1434 -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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -1.8578 -0.9329 | + | M SVB 2 24 -1.8578 -0.9329 |
| − | 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 SVB 1 22 -2.2817 0.7382 | + | M SVB 1 22 -2.2817 0.7382 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DDANS0002 | + | ID FL4DDANS0002 |
| − | KNApSAcK_ID C00008558 | + | KNApSAcK_ID C00008558 |
| − | NAME Aromadendrin 5,7-dimethyl ether | + | NAME Aromadendrin 5,7-dimethyl ether |
| − | CAS_RN 37971-70-3 | + | CAS_RN 37971-70-3 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)[C@H](O)[C@H]1c(c2)ccc(O)c2 | + | SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)[C@H](O)[C@H]1c(c2)ccc(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9244 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9244 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1591 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3618 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2817 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7818 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8578 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1434 -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
8 18 1 1 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -1.8578 -0.9329
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 SVB 1 22 -2.2817 0.7382
S SKP 8
ID FL4DDANS0002
KNApSAcK_ID C00008558
NAME Aromadendrin 5,7-dimethyl ether
CAS_RN 37971-70-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)[C@H](O)[C@H]1c(c2)ccc(O)c2
M END
