Mol:FL2FA9NM0014
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8217 -1.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8217 -1.1479 0.0000 O 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 25 -2.1935 -0.3699 | + | M SVB 3 25 -2.1935 -0.3699 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.8363 0.7382 | + | M SVB 2 23 -1.8363 0.7382 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.4125 -0.9329 | + | M SVB 1 21 -1.4125 -0.9329 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0014 | + | ID FL2FA9NM0014 |
| − | KNApSAcK_ID C00008483 | + | KNApSAcK_ID C00008483 |
| − | NAME 5-O-Methylleridol | + | NAME 5-O-Methylleridol |
| − | CAS_RN 143084-67-7 | + | CAS_RN 143084-67-7 |
| − | FORMULA C19H20O5 | + | FORMULA C19H20O5 |
| − | EXACTMASS 328.13107375 | + | EXACTMASS 328.13107375 |
| − | AVERAGEMASS 328.3591 | + | AVERAGEMASS 328.3591 |
| − | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC | + | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4791 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 0.1195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0836 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8217 -1.1479 0.0000 O 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 0 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
5 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 CH2OH
M SVB 3 25 -2.1935 -0.3699
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.8363 0.7382
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.4125 -0.9329
S SKP 8
ID FL2FA9NM0014
KNApSAcK_ID C00008483
NAME 5-O-Methylleridol
CAS_RN 143084-67-7
FORMULA C19H20O5
EXACTMASS 328.13107375
AVERAGEMASS 328.3591
SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC
M END
