Mol:FL4DRNNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6586 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6586 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0615 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0615 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6674 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6674 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0455 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0455 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7611 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7611 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7723 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7723 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4742 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4742 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1922 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1922 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1990 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1990 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4924 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4924 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9209 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9209 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9298 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9298 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6489 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6489 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3572 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3572 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3509 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3509 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6309 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6309 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4592 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4592 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0455 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0455 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3669 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3669 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9368 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9368 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9493 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9493 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1990 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1990 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5129 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5129 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5129 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5129 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1161 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1161 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9363 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9363 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0615 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0615 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6518 1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6518 1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3232 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3232 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3232 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3232 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0611 1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0611 1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8405 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8405 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5902 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5902 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3637 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3637 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3637 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3637 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9368 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9368 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1922 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1922 -1.8018 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 8 37 1 0 0 0 0 | + | 8 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DRNNI0003 | + | ID FL4DRNNI0003 |
| − | KNApSAcK_ID C00014397 | + | KNApSAcK_ID C00014397 |
| − | NAME Sanggenol I | + | NAME Sanggenol I |
| − | CAS_RN 202526-54-3 | + | CAS_RN 202526-54-3 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES CC(CCC=C(C)C)=CCc(c21)c(O)cc(O)c(C(=O)C(O)(O4)C(c(c34)ccc(c3)O)(O2)CC=C(C)C)1 | + | SMILES CC(CCC=C(C)C)=CCc(c21)c(O)cc(O)c(C(=O)C(O)(O4)C(c(c34)ccc(c3)O)(O2)CC=C(C)C)1 |
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
-0.6586 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0615 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6674 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7611 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4742 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1922 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1990 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4924 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9209 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9298 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6489 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3572 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3509 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6309 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4592 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3669 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9368 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9493 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1990 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5129 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5129 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1161 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9363 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0615 1.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0611 1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8405 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5902 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3637 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3637 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9368 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1922 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
21 16 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
8 37 1 0 0 0 0
S SKP 8
ID FL4DRNNI0003
KNApSAcK_ID C00014397
NAME Sanggenol I
CAS_RN 202526-54-3
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES CC(CCC=C(C)C)=CCc(c21)c(O)cc(O)c(C(=O)C(O)(O4)C(c(c34)ccc(c3)O)(O2)CC=C(C)C)1
M END
