Mol:FL4DRNNI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.5788 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5788 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0579 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0579 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5370 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5370 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5370 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5370 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0579 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0579 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5788 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5788 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0162 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0162 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5047 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5047 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5047 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5047 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0162 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0162 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0162 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0162 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0251 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0251 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0579 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0579 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0992 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0992 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4303 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4303 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0768 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0768 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0285 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0285 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2731 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2731 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9196 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9196 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3214 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3214 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8707 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8707 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5047 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5047 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3816 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3816 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8927 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8927 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1478 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1478 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6579 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6579 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8927 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8927 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5047 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5047 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1180 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1180 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1180 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1180 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7408 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7408 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5047 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5047 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0992 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0992 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6195 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6195 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1387 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1387 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6579 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6579 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1387 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1387 -1.7760 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 |
| − | 1 33 1 0 0 0 0 | + | 1 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 FL4DRNNI0001 | + | ID FL4DRNNI0001 |
| − | KNApSAcK_ID C00008632 | + | KNApSAcK_ID C00008632 |
| − | NAME Sorocein F | + | NAME Sorocein F |
| − | CAS_RN 163687-42-1 | + | CAS_RN 163687-42-1 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES C(=CCc(c21)c(ccc1C(CC=C(C)C)(O4)C(O)(C(c(c34)c(O)c(c(O)c3)CC=C(C)C)=O)O2)O)(C)C | + | SMILES C(=CCc(c21)c(ccc1C(CC=C(C)C)(O4)C(O)(C(c(c34)c(O)c(c(O)c3)CC=C(C)C)=O)O2)O)(C)C |
M END | M END | ||
| − | |||
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
-1.5788 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5370 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5370 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5788 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0251 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4303 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9196 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3214 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3816 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6579 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6195 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6579 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 -1.7760 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
1 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 FL4DRNNI0001
KNApSAcK_ID C00008632
NAME Sorocein F
CAS_RN 163687-42-1
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES C(=CCc(c21)c(ccc1C(CC=C(C)C)(O4)C(O)(C(c(c34)c(O)c(c(O)c3)CC=C(C)C)=O)O2)O)(C)C
M END
