Mrv0541 03061515382D 43 47 0 0 0 0 999 V2000 4.1584 -7.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 -8.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 -7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 -8.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 -8.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 -7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -7.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -6.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7306 -7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -7.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7306 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7306 -5.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 -6.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 -6.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 -7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 -7.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 -8.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 -9.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 -7.3213 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.3017 -8.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -8.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -9.7963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3017 -10.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7306 -10.2088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4451 -9.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7306 -11.0338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4451 -11.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -11.4463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0162 -12.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 -11.0338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5873 -11.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 -12.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 -10.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 -9.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6026 -10.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 -9.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 -8.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6026 -8.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 -8.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 -11.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 -10.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 -8.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6026 -7.7209 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 25 33 1 0 0 0 0 40 33 2 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 39 34 1 0 0 0 0 36 35 1 0 0 0 0 38 39 2 0 0 0 0 37 36 2 0 0 0 0 41 36 1 0 0 0 0 37 38 1 0 0 0 0 43 38 1 0 0 0 0 42 37 1 0 0 0 0 M CHG 1 19 1 M END > CHEBI:85143 > cyanidin 3-O-(2''-O-galloyl-beta-D-galactopyranoside) > An anthocyanin cation that is cyanidin attached to a 2''-O-galloyl-β-D-galactopyranosyl residue at position 3 via a glycosidic linkage. > 3 > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranoside > C28H25O15 > 601.48860 > 601.11880 > 1 > OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O > InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m1/s1 > WUJWGTHCPFBYPP-WZGYZDFVSA-O > 5371568 $$$$