Mol:FL3FALNR0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3054 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3054 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3054 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3054 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7491 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7491 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1928 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1928 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1928 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1928 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7491 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7491 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3635 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3635 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9198 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9198 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9198 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9198 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3635 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3635 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3635 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3635 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4759 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4759 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0428 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0428 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6098 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6098 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6098 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6098 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0428 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0428 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4759 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4759 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8615 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8615 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7491 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7491 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8615 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8615 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4176 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4176 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9725 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9725 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5274 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5274 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9725 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9725 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4761 -0.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4761 -0.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.0324 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0324 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4761 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4761 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0322 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0322 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0322 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0322 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5883 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5883 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5274 1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5274 1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5274 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5274 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 13 1 0 0 0 0 | + | 26 13 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 3.5274 1.3371 | + | M SVB 1 34 3.5274 1.3371 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0006 | + | ID FL3FALNR0006 |
| − | KNApSAcK_ID C00004101 | + | KNApSAcK_ID C00004101 |
| − | NAME Cycloartocarpin A | + | NAME Cycloartocarpin A |
| − | CAS_RN 156127-37-6 | + | CAS_RN 156127-37-6 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES c(c1)(O4)c(C(=O)C(=C34)C(C=C(C)C)Oc(c23)cc(OC)cc2)c(c(c1O)C=CC(C)C)O | + | SMILES c(c1)(O4)c(C(=O)C(=C34)C(C=C(C)C)Oc(c23)cc(OC)cc2)c(c(c1O)C=CC(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.3054 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0428 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0428 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.0324 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0322 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0322 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5883 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5274 1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
26 13 1 0 0 0 0
25 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 3.5274 1.3371
S SKP 8
ID FL3FALNR0006
KNApSAcK_ID C00004101
NAME Cycloartocarpin A
CAS_RN 156127-37-6
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c1)(O4)c(C(=O)C(=C34)C(C=C(C)C)Oc(c23)cc(OC)cc2)c(c(c1O)C=CC(C)C)O
M END
