Mrv0541 11251315162D 36 39 0 0 0 0 999 V2000 5.1659 0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4546 1.3395 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.8116 -0.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3166 1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3199 2.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0277 0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0311 2.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 1.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 -1.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6034 3.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 -2.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 -2.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 -1.1008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1054 -1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -1.5107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1091 -2.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5309 -2.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1337 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 -2.7431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2470 -2.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 -3.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 9 10 2 0 0 0 0 12 15 1 0 0 0 0 17 18 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 14 21 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 17 2 0 0 0 0 12 22 1 0 0 0 0 23 24 1 0 0 0 0 27 30 1 6 0 0 0 28 31 1 0 0 0 0 28 23 1 1 0 0 0 29 32 1 1 0 0 0 31 33 1 6 0 0 0 29 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 24 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 25 5 1 1 0 0 0 M CHG 1 4 1 M END > CHEBI:75678 > delphinidin 3-O-(6-O-acetyl-beta-D-glucoside) > An anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-acetyl-β-D-glucosyl residue. > 3 > Delphinidin 3-(acetylglucoside); Delphinidin 3-(acetyl-glucoside); Delphinidin 3-(6''-acetylglucoside); Delphinidin 3-(6''-acetyl-glucoside) > 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-acetyl-beta-D-glucopyranoside > C23H23O13 > 507.42090 > 507.11332 > 1 > CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1 > QPXIWIXIRHZIMM-OXUVVOBNSA-O > 9602890 > LMPK12010291 $$$$