Mol:FL2FA9NI0020
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4335 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4335 1.1635 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -1.9334 0.2975 | + | M SVB 1 26 -1.9334 0.2975 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0020 | + | ID FL2FA9NI0020 |
| − | KNApSAcK_ID C00008528 | + | KNApSAcK_ID C00008528 |
| − | NAME Tephroleocarpin B | + | NAME Tephroleocarpin B |
| − | CAS_RN 138590-94-0 | + | CAS_RN 138590-94-0 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 | + | SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.5761 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0135 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 1.1635 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
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.9334 0.2975
S SKP 8
ID FL2FA9NI0020
KNApSAcK_ID C00008528
NAME Tephroleocarpin B
CAS_RN 138590-94-0
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1
M END
