Mol:FL5FFCGL0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1178 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1178 -1.7869 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 |
− | 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 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 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 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
− | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
− | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
− | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
− | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
− | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
− | M SBL 1 1 36 | + | M SBL 1 1 36 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 36 -4.5208 4.8379 | + | M SBV 1 36 -4.5208 4.8379 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFCGL0001 | + | ID FL5FFCGL0001 |
− | KNApSAcK_ID C00005686 | + | KNApSAcK_ID C00005686 |
− | NAME Gossypetin 3-glucoside | + | NAME Gossypetin 3-glucoside |
− | CAS_RN 38965-52-5 | + | CAS_RN 38965-52-5 |
− | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
− | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
− | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
− | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O | + | SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.7185 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -1.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -1.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -0.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -1.7869 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 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 6 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 CH2OH M SBV 1 36 -4.5208 4.8379 S SKP 8 ID FL5FFCGL0001 KNApSAcK_ID C00005686 NAME Gossypetin 3-glucoside CAS_RN 38965-52-5 FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES c(c42)(c(O)c(O)cc4O)OC(=C(OC(C(O)3)OC(CO)C(O)C3O)C2=O)c(c1)cc(c(O)c1)O M END