Mol:FL3FALNP0018
From Metabolomics.JP
(Difference between revisions)
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| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4063 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4063 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5497 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5497 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5497 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5497 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4516 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4516 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4516 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4516 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4516 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4516 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 3.0937 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 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 16 1 0 0 0 0 | + | 29 16 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0018 | + | ID FL3FALNP0018 |
| − | KNApSAcK_ID C00013460 | + | KNApSAcK_ID C00013460 |
| − | NAME Heterophyllin | + | NAME Heterophyllin |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C30H32O7 | + | FORMULA C30H32O7 |
| − | EXACTMASS 504.214803378 | + | EXACTMASS 504.214803378 |
| − | AVERAGEMASS 504.57088 | + | AVERAGEMASS 504.57088 |
| − | SMILES c(c1O)(C(O2)=C(CC=C(C)C)C(c(c3O)c2c(CC=C(C)C)c(O4)c3C=CC4(C)C)=O)cc(O)c(O)c1 | + | SMILES c(c1O)(C(O2)=C(CC=C(C)C)C(c(c3O)c2c(CC=C(C)C)c(O4)c3C=CC4(C)C)=O)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 3.0937 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
12 19 1 0 0 0 0
10 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
17 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 16 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
13 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL3FALNP0018
KNApSAcK_ID C00013460
NAME Heterophyllin
CAS_RN -
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES c(c1O)(C(O2)=C(CC=C(C)C)C(c(c3O)c2c(CC=C(C)C)c(O4)c3C=CC4(C)C)=O)cc(O)c(O)c1
M END
