Mol:FL5FECGS0030
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | -0.7853 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7853 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2290 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2290 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3273 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3273 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3273 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3273 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2290 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2290 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8836 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8836 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4399 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4399 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4399 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4399 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8836 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8836 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8836 -1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8836 -1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9960 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9960 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5630 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5630 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1300 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1300 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1300 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1300 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5630 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5630 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9960 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9960 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2290 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2290 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1300 1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1300 1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3414 -0.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3414 -0.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2299 -1.1272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2299 -1.1272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -2.8030 -1.6908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8030 -1.6908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.1882 -1.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1882 -1.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -1.5950 -1.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5950 -1.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.0261 -1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0261 -1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6541 -1.2396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6541 -1.2396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.7789 -1.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7789 -1.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4686 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4686 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8360 -2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8360 -2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8893 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8893 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8673 -0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8673 -0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8464 2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8464 2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2878 2.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2878 2.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3059 -0.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3059 -0.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1719 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1719 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1425 0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1425 0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6424 1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6424 1.6487 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 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 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 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 8 34 1 0 0 0 0 | + | 8 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 1 36 1 0 0 0 0 | + | 1 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 30 31 | + | M SAL 4 2 30 31 |
− | M SBL 4 1 33 | + | M SBL 4 1 33 |
− | M SMT 4 CH2OH | + | M SMT 4 CH2OH |
− | M SVB 4 33 -2.8893 -0.5138 | + | M SVB 4 33 -2.8893 -0.5138 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 36 37 | + | M SAL 3 2 36 37 |
− | M SBL 3 1 39 | + | M SBL 3 1 39 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 39 -1.1425 0.7826 | + | M SVB 3 39 -1.1425 0.7826 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
− | M SBL 2 1 37 | + | M SBL 2 1 37 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 37 1.6388 -0.6848 | + | M SVB 2 37 1.6388 -0.6848 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 35 2.8464 2.043 | + | M SVB 1 35 2.8464 2.043 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FECGS0030 | + | ID FL5FECGS0030 |
− | KNApSAcK_ID C00005676 | + | KNApSAcK_ID C00005676 |
− | NAME Chrysosplenoside C | + | NAME Chrysosplenoside C |
− | CAS_RN 24274-45-1 | + | CAS_RN 24274-45-1 |
− | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
− | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
− | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
− | SMILES C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)[C@H]([C@H]1O)O)O | + | SMILES C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)[C@H]([C@H]1O)O)O |
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 -0.7853 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -0.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -1.1272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8030 -1.6908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1882 -1.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5950 -1.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0261 -1.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 -1.2396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7789 -1.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4686 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 2.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 2.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -0.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 1.6487 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 2 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 20 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 8 34 1 0 0 0 0 34 35 1 0 0 0 0 1 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 30 31 M SBL 4 1 33 M SMT 4 CH2OH M SVB 4 33 -2.8893 -0.5138 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 36 37 M SBL 3 1 39 M SMT 3 OCH3 M SVB 3 39 -1.1425 0.7826 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 37 M SMT 2 OCH3 M SVB 2 37 1.6388 -0.6848 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 2.8464 2.043 S SKP 8 ID FL5FECGS0030 KNApSAcK_ID C00005676 NAME Chrysosplenoside C CAS_RN 24274-45-1 FORMULA C24H26O13 EXACTMASS 522.137340918 AVERAGEMASS 522.45544 SMILES C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)cc(c(c2)O)OC)[C@H]([C@H]1O)O)O M END