Mol:FL5FCCGA0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.9913 1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9913 1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8216 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8216 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
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| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
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| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 41 15 1 0 0 0 0 | + | 41 15 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 52 50 1 0 0 0 0 | + | 52 50 1 0 0 0 0 |
| − | 16 63 1 0 0 0 0 | + | 16 63 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 1 64 1 0 0 0 0 | + | 1 64 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 64 65 | + | M SAL 1 2 64 65 |
| − | M SBL 1 1 71 | + | M SBL 1 1 71 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 71 0.5704 -0.3293 | + | M SBV 1 71 0.5704 -0.3293 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGA0009 | + | ID FL5FCCGA0009 |
| − | FORMULA C43H48O22 | + | FORMULA C43H48O22 |
| − | EXACTMASS 916.26372322 | + | EXACTMASS 916.26372322 |
| − | AVERAGEMASS 916.82802 | + | AVERAGEMASS 916.82802 |
| − | SMILES c(c61)(O)cc(cc1OC(c(c7)cc(O)c(c7)O)=C(C6=O)OC(O2)C(O)C(C(O)C2COC(C3O)OC(C)C(C3OC(O5)C(C(C(O)C5C)OC(C=Cc(c4)ccc(O)c4)=O)O)O)O)OC | + | SMILES c(c61)(O)cc(cc1OC(c(c7)cc(O)c(c7)O)=C(C6=O)OC(O2)C(O)C(C(O)C2COC(C3O)OC(C)C(C3OC(O5)C(C(C(O)C5C)OC(C=Cc(c4)ccc(O)c4)=O)O)O)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.9693 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5865 2.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 2.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0361 3.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 4.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9191 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7494 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3532 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 -0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1659 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2509 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 1.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9528 1.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.6736 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2440 -1.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
24 37 1 0 0 0 0
36 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
28 18 1 0 0 0 0
41 15 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 39 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
52 50 1 0 0 0 0
16 63 1 0 0 0 0
64 65 1 0 0 0 0
1 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ OCH3
M SBV 1 71 0.5704 -0.3293
S SKP 5
ID FL5FCCGA0009
FORMULA C43H48O22
EXACTMASS 916.26372322
AVERAGEMASS 916.82802
SMILES c(c61)(O)cc(cc1OC(c(c7)cc(O)c(c7)O)=C(C6=O)OC(O2)C(O)C(C(O)C2COC(C3O)OC(C)C(C3OC(O5)C(C(C(O)C5C)OC(C=Cc(c4)ccc(O)c4)=O)O)O)O)OC
M END
