Mol:PR100457
From Metabolomics.JP
ACD/Labs08070915122D 42 46 0 0 1 0 0 0 0 0 2 V2000 19.8323 -8.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8798 -6.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8798 -7.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7124 -7.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 -7.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 -6.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7124 -5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3777 -7.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2103 -7.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2103 -6.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3777 -5.8274 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 19.0429 -5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8756 -6.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7082 -5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7082 -4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8756 -4.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0429 -4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7124 -8.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8115 -5.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6665 -4.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8756 -3.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3664 -7.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3664 -8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1990 -8.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0316 -8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0316 -7.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1990 -6.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1990 -5.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0316 -5.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8643 -6.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2001 -10.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8643 -8.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4341 -10.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4341 -11.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2667 -12.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0994 -11.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0994 -10.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2667 -10.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2667 -9.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4341 -9.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9320 -12.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9320 -10.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 18 1 0 0 0 0 2 19 1 0 0 0 0 15 20 1 0 0 0 0 1 9 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 26 30 1 1 0 0 0 24 31 1 1 0 0 0 25 32 1 6 0 0 0 23 1 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 33 40 1 6 0 0 0 36 41 1 6 0 0 0 37 42 1 1 0 0 0 31 33 1 0 0 0 0 M CHG 1 11 1 S SKP 2 CAS_RN 63525-17-1 NAME Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside) M END
