12303220 CDK 0128221402 33 35 0 0 0 0 0 0 0 0999 V2000 7.0943 1.4143 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 29 30 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 1 -1 M CHG 1 8 1 M END > CHEBI:189578 > cyanidin 3-glucoside > 2 > 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride > C21H21O11.Cl > 484.840 > 484.07724 > 0 > [Cl-].O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO > InChI=1S/C21H20O11.ClH/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);1H > YTMNONATNXDQJF-UHFFFAOYSA-N $$$$