Mol:FL4DRNNP0002
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 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7778 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7778 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2569 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2569 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7360 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7360 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7360 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7360 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2569 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2569 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7778 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7778 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2151 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2151 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2151 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2151 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2151 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2151 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8261 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8261 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2569 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2569 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2982 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2982 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2313 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2313 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8778 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8778 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8295 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8295 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0741 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0741 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7206 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7206 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1224 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1224 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6717 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6717 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6937 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6937 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9488 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9488 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4589 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4589 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6937 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6937 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3170 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3170 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3170 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3170 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9398 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9398 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3057 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3057 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8196 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8196 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8196 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8196 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2987 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2987 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3848 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3848 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4589 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4589 -0.4466 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 9 28 1 0 0 0 0 | + | 9 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 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 1 1 0 0 0 0 | + | 35 1 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DRNNP0002 | + | ID FL4DRNNP0002 |
| − | KNApSAcK_ID C00008630 | + | KNApSAcK_ID C00008630 |
| − | NAME Sorocein D | + | NAME Sorocein D |
| − | CAS_RN 157382-81-5 | + | CAS_RN 157382-81-5 |
| − | FORMULA C30H32O7 | + | FORMULA C30H32O7 |
| − | EXACTMASS 504.214803378 | + | EXACTMASS 504.214803378 |
| − | AVERAGEMASS 504.57088 | + | AVERAGEMASS 504.57088 |
| − | SMILES C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C | + | SMILES C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C |
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 41 0 0 0 0 0 0 0 0999 V2000
-1.7778 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7778 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2982 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2313 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8778 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8295 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7206 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1224 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9488 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4589 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9398 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2987 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3848 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 -0.4466 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
7 11 2 0 0 0 0
8 12 1 0 0 0 0
2 13 1 0 0 0 0
6 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
16 9 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
18 21 1 0 0 0 0
8 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
9 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 1 1 0 0 0 0
33 36 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL4DRNNP0002
KNApSAcK_ID C00008630
NAME Sorocein D
CAS_RN 157382-81-5
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C
M END
