Mol:BMMCPYCT0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
4.0823 0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9483 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 3.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8913 -1.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8913 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3913 -2.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2003 -2.3649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.7881 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1514 -2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 8 1 0 0 0 0
9 1 1 0 0 0 0
1 2 1 0 0 0 0
11 12 1 0 0 0 0
10 9 1 0 0 0 0
9 16 1 1 0 0 0
12 16 1 1 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
10 11 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
15 18 1 0 0 0 0
18 14 1 0 0 0 0
10 14 1 6 0 0 0
11 15 1 6 0 0 0
6 1 1 0 0 0 0
18 19 2 0 0 0 0
2 7 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 7
ID BMMCPYCT0001
NAME 4-Amino-1- [(1R,2R,4R,5R) -7-hydroxy-2- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0] octan-4-yl] pyrimidin-2-one
CAS_RN 74263-38-0
FORMULA C9H12N3O7P
EXACTMASS 305.0412
AVERAGEMASS 305.1813
SMILES OC[C@@H](O1)[C@@H](O3)[C@@H](OP(O)(=O)3)[C@@H]1N(C=2)C(=O)N=C(N)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02354
M END
