Mol:FL5FGANS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7182 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7182 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8298 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8298 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3377 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3377 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7341 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7341 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6225 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6225 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1146 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1146 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2420 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2420 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3616 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3616 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4732 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4732 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0189 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0189 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3290 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3290 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0766 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0766 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5781 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5781 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1933 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1933 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3070 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3070 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8055 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8055 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1903 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1903 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2101 0.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2101 0.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4492 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4492 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9221 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9221 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1277 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1277 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8937 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8937 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7412 0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7412 0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1550 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1550 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4699 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4699 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -0.8071 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 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
− | M SBL 3 1 27 | + | M SBL 3 1 27 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 27 -2.5983 -0.3996 | + | M SVB 3 27 -2.5983 -0.3996 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
− | M SBL 2 1 25 | + | M SBL 2 1 25 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 25 -1.0494 1.0455 | + | M SVB 2 25 -1.0494 1.0455 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 23 | + | M SBL 1 1 23 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 23 0.5403 -0.6973 | + | M SVB 1 23 0.5403 -0.6973 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FGANS0003 | + | ID FL5FGANS0003 |
− | KNApSAcK_ID C00004668 | + | KNApSAcK_ID C00004668 |
− | NAME Sarothrin | + | NAME Sarothrin |
− | CAS_RN 57393-71-2 | + | CAS_RN 57393-71-2 |
− | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
− | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
− | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
− | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)(c1)ccc(O)c1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)(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/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.7182 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1903 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 0.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.8071 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 3 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.5983 -0.3996 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -1.0494 1.0455 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 0.5403 -0.6973 S SKP 8 ID FL5FGANS0003 KNApSAcK_ID C00004668 NAME Sarothrin CAS_RN 57393-71-2 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)(c1)ccc(O)c1 M END