Mol:FL6DPTNS0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0505 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0505 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0505 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0505 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4942 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4942 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0621 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0621 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0621 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4942 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4942 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6184 -0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6184 -0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1747 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1747 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1747 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1747 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6184 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6184 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6069 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6069 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1632 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1632 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6069 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6069 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7195 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7195 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7310 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7310 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7310 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7310 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1747 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1747 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6184 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6184 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2871 1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2871 1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2871 0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2871 0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7195 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7195 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9460 -0.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9460 -0.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2316 -1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2316 -1.4062 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 1 0 0 0 | + | 4 7 1 1 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 5 10 1 6 0 0 0 | + | 5 10 1 6 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 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 10 1 0 0 0 0 | + | 19 10 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 3 23 1 6 0 0 0 | + | 3 23 1 6 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -7.2938 2.6717 | + | M SBV 1 27 -7.2938 2.6717 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DPTNS0006 | + | ID FL6DPTNS0006 |
| − | KNApSAcK_ID C00009045 | + | KNApSAcK_ID C00009045 |
| − | NAME 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol | + | NAME 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(c45)C(C(C(c4ccc(O)c5)OC)3)c(c2CO3)ccc(c21)OCO1 | + | SMILES O(c45)C(C(C(c4ccc(O)c5)OC)3)c(c2CO3)ccc(c21)OCO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-1.0505 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0621 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 -0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 0.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6184 1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7195 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9460 -0.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 -1.4062 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 6 0 0 0
11 1 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 2 1 0 0 0 0
12 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 10 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
3 23 1 6 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 27
M SMT 1 OCH3
M SBV 1 27 -7.2938 2.6717
S SKP 8
ID FL6DPTNS0006
KNApSAcK_ID C00009045
NAME 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
CAS_RN -
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(c45)C(C(C(c4ccc(O)c5)OC)3)c(c2CO3)ccc(c21)OCO1
M END
