Mol:PR100739
From Metabolomics.JP
ISISHOST03240423132D 1 1.00000 0.00000 4935 21 22 0 1 0 999 V2000 0.6448 -0.2310 0.0000 C 0 0 1 0 0 0 0 0 0 1.1379 1.0759 0.0000 N 0 0 3 0 0 0 0 0 0 0.4034 -0.9690 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0069 0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0.4552 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 1.8241 1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3862 -0.9690 0.0000 C 0 0 1 0 0 0 0 0 0 0.8690 -1.5966 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6379 -0.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0.4586 2.2586 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2241 1.0862 0.0000 O 0 0 0 0 0 0 0 0 0 1.8241 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 -1.6035 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3793 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 1.1379 2.6552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1759 -2.3966 0.0000 P 0 0 3 0 0 0 0 0 0 -1.9552 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 1.1379 3.4345 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3172 -2.3966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7862 -1.7931 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1759 -3.2586 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 6 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 2 0 0 0 6 12 2 0 0 0 7 13 1 6 0 0 9 14 1 1 0 0 10 15 2 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 16 21 2 0 0 0 7 9 1 0 0 0 12 15 1 0 0 0 S SKP 7 CAS_RN 84-52-6 NAME Cytidine-3'-monophosphate ID PR100739 FORMULA C9H14N3O8P EXACTMASS 323.05185094899997 AVERAGEMASS 323.196641 SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 M END