Mrv0541 04221414372D 32 35 0 0 0 0 999 V2000 -0.8125 3.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 1.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 3.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 3.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 3.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 4.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 5.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 3.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 4.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 3.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 1.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 3.0438 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3309 1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 1.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 0.5687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3309 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 0.1562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4743 0.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 -0.6688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4743 -1.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 -1.0813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0454 -1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -0.6688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6164 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 -1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 3 1 0 0 0 0 15 2 1 0 0 0 0 2 17 2 0 0 0 0 17 4 1 0 0 0 0 19 3 2 0 0 0 0 4 3 1 0 0 0 0 4 5 2 0 0 0 0 19 6 1 0 0 0 0 5 20 1 0 0 0 0 20 6 2 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 7 9 1 0 0 0 0 11 8 1 0 0 0 0 11 13 2 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 30 1 0 0 0 0 30 28 1 0 0 0 0 28 26 1 0 0 0 0 26 24 1 0 0 0 0 24 25 1 6 0 0 0 26 27 1 1 0 0 0 28 29 1 1 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 M CHG 1 19 1 M END > CHEBI:27475 > cyanidin 3-O-beta-D-galactoside > An anthocyanin cation that is cyanidin(1+) carrying a single β-D-galactosyl substituent at position 3. > 3 > CHEBI:3973; CHEBI:23428 > Cyanidin 3-O-galactoside > 3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium > C21H21O11; C21H21O11 > 449.38430 > 449.10784 > 1 > OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1 > RKWHWFONKJEUEF-WVXKDWSHSA-O > 3920159 > 3920159 > C08647 > C00006652 > 19351112; 21302942; 22739086; 23215441 $$$$