Mol:BMCCPUAPt012
From Metabolomics.JP
(Difference between revisions)
| Line 70: | Line 70: | ||
S SKP 7 | S SKP 7 | ||
ID BMCCPUAPt012 | ID BMCCPUAPt012 | ||
| − | NAME 5 | + | NAME [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] 2,3-dihydroxybenzoic acid |
| + | CAS_RN 56164-09-1 | ||
FORMULA C17H18N5O8P | FORMULA C17H18N5O8P | ||
EXACTMASS 451.0892 | EXACTMASS 451.0892 | ||
Latest revision as of 11:55, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 1 0 0 0 0 0999 V2000
3.9563 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.8163 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9503 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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8.2290 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7299 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.5817 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.3738 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7896 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3 4 2 0 0 0 0
S SKP 7
ID BMCCPUAPt012
NAME [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] 2,3-dihydroxybenzoic acid
CAS_RN 56164-09-1
FORMULA C17H18N5O8P
EXACTMASS 451.0892
AVERAGEMASS 451.3274
SMILES Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OC(=O)c(c2)cccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06433
M END
