Mol:PR100697
From Metabolomics.JP
16 16 0 0 1 0 0 0 0 0999 V2000 22.2635 -15.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0667 -14.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2635 -16.8419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4475 -14.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8762 -15.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0667 -17.5222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4475 -17.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0714 -14.7884 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 19.8762 -16.8419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7046 -14.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0729 -18.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4445 -14.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0714 -13.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0776 -16.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7046 -17.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6526 -15.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 1 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 6 11 1 1 0 0 8 12 1 0 0 0 8 13 1 0 0 0 8 14 2 0 0 0 9 15 1 6 0 0 10 16 1 0 0 0 6 9 1 0 0 0 S SKP 7 CAS_RN 15978-07-1 NAME alpha-D-(+)-mannose-1-phosphate ID PR100697 FORMULA C6H13O9P EXACTMASS 260.029718524 AVERAGEMASS 260.135781 SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OP(O)(O)=O M END