Mol:PR100648
From Metabolomics.JP
ACD/Labs08070914512D 22 22 0 0 1 0 0 0 0 0 1 V2000 19.5243 -7.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8346 -7.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2036 -7.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5105 -6.3183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.8346 -8.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2001 -8.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8829 -7.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5208 -4.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5208 -8.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1519 -8.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8795 -8.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3409 -4.3790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7657 -4.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5105 -9.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4657 -8.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4368 -3.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0174 -4.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1782 -4.1530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.0734 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8196 -3.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5196 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9472 -4.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 6 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 1 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 6 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 6 9 1 0 0 0 0 S SKP 2 CAS_RN 534-69-0 NAME sinigrin M END
