Mol:FLIAAANF0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4699 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4699 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4699 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4699 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6427 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6427 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6427 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6427 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1990 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1990 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7553 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7553 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7553 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7553 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1990 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1990 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3114 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3114 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3114 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3114 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9062 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9062 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5009 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5009 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5009 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5009 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9062 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9062 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1990 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1990 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0864 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0864 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4776 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4776 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4776 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4776 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0857 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0857 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0408 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0408 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4584 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4584 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1005 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1005 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4216 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4216 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4216 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4216 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8996 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8996 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0951 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0951 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2065 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2065 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7660 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7660 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0951 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0951 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 2 1 0 0 0 0 | + | 26 2 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANF0006 | + | ID FLIAAANF0006 |
| − | KNApSAcK_ID C00009946 | + | KNApSAcK_ID C00009946 |
| − | NAME Eriotriochin | + | NAME Eriotriochin |
| − | CAS_RN 128585-07-9 | + | CAS_RN 128585-07-9 |
| − | FORMULA C27H30O7 | + | FORMULA C27H30O7 |
| − | EXACTMASS 466.199153314 | + | EXACTMASS 466.199153314 |
| − | AVERAGEMASS 466.52290000000005 | + | AVERAGEMASS 466.52290000000005 |
| − | SMILES c(c(O)3)(C(=O)1)c(c(CC=C(C)C)c(O4)c3CC4C(C)(C)OCCO)OC=C(c(c2)ccc(c2)O)1 | + | SMILES c(c(O)3)(C(=O)1)c(c(CC=C(C)C)c(O4)c3CC4C(C)(C)OCCO)OC=C(c(c2)ccc(c2)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.4699 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4699 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6427 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6427 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7553 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7553 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9062 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5009 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5009 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9062 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4776 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4776 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0857 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0408 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1005 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4216 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4216 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8996 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0951 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2065 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7660 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0951 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 2 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
14 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 8
ID FLIAAANF0006
KNApSAcK_ID C00009946
NAME Eriotriochin
CAS_RN 128585-07-9
FORMULA C27H30O7
EXACTMASS 466.199153314
AVERAGEMASS 466.52290000000005
SMILES c(c(O)3)(C(=O)1)c(c(CC=C(C)C)c(O4)c3CC4C(C)(C)OCCO)OC=C(c(c2)ccc(c2)O)1
M END
