Mol:FL5FFAGL0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2532 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2532 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2532 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2532 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5387 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5387 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8243 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8243 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8243 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8243 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5387 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5387 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1098 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1098 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3953 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3953 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3953 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3953 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1098 1.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1098 1.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1098 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1098 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3189 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3189 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0471 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0471 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7751 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7751 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7751 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7751 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0471 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0471 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3189 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3189 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9674 1.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9674 1.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3801 -0.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3801 -0.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5387 -1.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5387 -1.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3041 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3041 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8729 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8729 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7021 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7021 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5362 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5362 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9674 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9674 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1382 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1382 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5060 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5060 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3543 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3543 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9232 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9232 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7523 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7523 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5865 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5865 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0176 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0176 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1885 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1885 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7107 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7107 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7169 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7169 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8421 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8421 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2546 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2546 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8259 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8259 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2328 -2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2328 -2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3072 -2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3072 -2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5362 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5362 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5894 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5894 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5387 2.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5387 2.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9782 3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9782 3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 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 |
| − | 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 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 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 42 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 6 43 1 0 0 0 0 | + | 6 43 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 48 0.0000 -0.8012 | + | M SBV 1 48 0.0000 -0.8012 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGL0007 | + | ID FL5FFAGL0007 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES Oc(c5)c(OC)c(c(c5O)4)OC(=C(C4=O)OC(O2)C(O)C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)c(c1)ccc(O)c1 | + | SMILES Oc(c5)c(OC)c(c(c5O)4)OC(=C(C4=O)OC(O2)C(O)C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.2532 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2532 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1098 -0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 0.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1098 1.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1098 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3189 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7751 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7751 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3189 2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9674 1.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3801 -0.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 -1.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3041 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7021 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5362 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9674 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1382 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5060 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3543 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9232 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 -0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5865 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0176 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7107 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7169 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8421 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2546 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8259 -1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2328 -2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 -2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5362 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5894 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 2.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
43 44 1 0 0 0 0
6 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 OCH3
M SBV 1 48 0.0000 -0.8012
S SKP 5
ID FL5FFAGL0007
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES Oc(c5)c(OC)c(c(c5O)4)OC(=C(C4=O)OC(O2)C(O)C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)c(c1)ccc(O)c1
M END
