Mol:FL3FACCS0032
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
− | -1.1085 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1085 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1085 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1085 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5522 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5522 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0041 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0041 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0041 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0041 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5522 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5522 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5604 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5604 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1167 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1167 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1167 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1167 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5604 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5604 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5604 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5604 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6646 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6646 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7347 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7347 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3209 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3209 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9071 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9071 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9071 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9071 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3209 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3209 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7347 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7347 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4929 0.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4929 0.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3274 1.9408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.3274 1.9408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -0.9330 1.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9330 1.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.6761 0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6761 0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.6692 0.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6692 0.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.2059 0.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2059 0.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5110 1.2251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5110 1.2251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.4892 2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4892 2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9678 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9678 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3116 0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3116 0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5522 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5522 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9791 -1.7485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9791 -1.7485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -2.6079 -2.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6079 -2.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.0734 -2.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0734 -2.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.5577 -2.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5577 -2.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.9325 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9325 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4001 -1.8969 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4001 -1.8969 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.5700 -1.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5700 -1.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9583 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9583 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7672 -2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7672 -2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4929 -0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4929 -0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6013 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6013 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5564 -0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5564 -0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0044 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0044 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7189 1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 1.1101 0.0000 O 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
− | 15 39 1 0 0 0 0 | + | 15 39 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
− | M SBL 2 1 46 | + | M SBL 2 1 46 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 46 0.0044 1.5226 | + | M SVB 2 46 0.0044 1.5226 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 44 -2.6013 -1.0089 | + | M SVB 1 44 -2.6013 -1.0089 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FACCS0032 | + | ID FL3FACCS0032 |
− | KNApSAcK_ID C00006231 | + | KNApSAcK_ID C00006231 |
− | NAME Lucenin 2 | + | NAME Lucenin 2 |
− | CAS_RN 29428-58-8 | + | CAS_RN 29428-58-8 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES O[C@@H]([C@H]1O)[C@H](c(c4O)c(c(C(=O)2)c(c4[C@H](O5)[C@H]([C@H]([C@H](C5CO)O)O)O)OC(c(c3)ccc(O)c3O)=C2)O)OC(CO)[C@@H]1O | + | SMILES O[C@@H]([C@H]1O)[C@H](c(c4O)c(c(C(=O)2)c(c4[C@H](O5)[C@H]([C@H]([C@H](C5CO)O)O)O)OC(c(c3)ccc(O)c3O)=C2)O)OC(CO)[C@@H]1O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.1085 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6646 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 0.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 1.9408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9330 1.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6761 0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6692 0.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2059 0.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.2251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4892 2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9678 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 -1.7485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6079 -2.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0734 -2.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5577 -2.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9325 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 -1.8969 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5700 -1.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 -2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 -0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 -0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.1101 0.0000 O 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 1 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 2 1 0 0 0 0 15 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 25 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 46 M SMT 2 CH2OH M SVB 2 46 0.0044 1.5226 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 CH2OH M SVB 1 44 -2.6013 -1.0089 S SKP 8 ID FL3FACCS0032 KNApSAcK_ID C00006231 NAME Lucenin 2 CAS_RN 29428-58-8 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES O[C@@H]([C@H]1O)[C@H](c(c4O)c(c(C(=O)2)c(c4[C@H](O5)[C@H]([C@H]([C@H](C5CO)O)O)O)OC(c(c3)ccc(O)c3O)=C2)O)OC(CO)[C@@H]1O M END