Mol:PR100465
From Metabolomics.JP
ACD/Labs08070914192D 66 72 0 0 1 0 0 0 0 0 2 V2000 12.0627 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0627 -7.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9427 -6.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6827 -7.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6827 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9427 -9.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1827 -9.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4427 -9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4427 -7.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1827 -6.9207 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.9427 -11.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -6.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6327 -6.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8227 -7.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -6.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -5.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 -4.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6327 -5.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2727 -4.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6327 -9.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7527 -11.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5627 -11.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3027 -11.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3027 -13.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -13.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7527 -13.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -11.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -11.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -13.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -15.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9427 -13.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2727 -7.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 -3.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5327 -6.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 -10.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8927 -11.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -12.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2727 -11.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2727 -10.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -9.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5327 -12.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6327 -12.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5327 -9.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -13.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7227 -10.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9127 -9.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1027 -10.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2927 -9.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2927 -8.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1027 -7.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9127 -8.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1027 -6.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4827 -7.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4827 -10.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1027 -11.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6890 -8.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9337 -7.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1384 -8.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3132 -7.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7124 -9.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5164 -8.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7611 -7.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7312 -5.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5279 -5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2832 -6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9059 -5.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 2 10 1 0 0 0 0 6 11 1 0 0 0 0 4 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 8 20 1 0 0 0 0 21 11 1 1 0 0 0 21 22 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 21 26 1 0 0 0 0 23 27 1 1 0 0 0 27 28 1 0 0 0 0 24 29 1 6 0 0 0 25 30 1 1 0 0 0 26 31 1 6 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 32 34 1 0 0 0 0 35 20 1 6 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 39 1 0 0 0 0 39 40 1 0 0 0 0 35 40 1 0 0 0 0 38 41 1 1 0 0 0 36 42 1 1 0 0 0 39 43 1 6 0 0 0 37 44 1 6 0 0 0 43 45 1 0 0 0 0 46 45 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 50 52 1 1 0 0 0 49 53 1 6 0 0 0 48 54 1 1 0 0 0 47 55 1 1 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 56 60 2 0 0 0 0 59 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 59 65 1 0 0 0 0 63 66 1 0 0 0 0 M CHG 1 10 1 S SKP 2 CAS_RN 106863-71-2 NAME Petunidin-3-O-(6''-O-(4'''-O-E-coum)-alpha-rhamnopyranosyl-beta-glucopyranosyl)-5-O-beta-glucopyranoside M END