10456395 CDK 0222211520 32 35 0 0 0 0 0 0 0 0999 V2000 3.5917 -0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 1.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 -0.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 2.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1627 -1.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 -0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2281 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7861 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1627 -0.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8772 1.2215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8772 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5917 0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8773 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 0.8031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0207 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9377 -0.0219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5057 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5088 -0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6474 1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3635 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 2.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0764 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3572 2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0732 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 16 2 1 6 0 0 0 2 19 1 0 0 0 0 12 3 1 6 0 0 0 13 4 1 1 0 0 0 14 5 1 1 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 17 1 0 0 0 0 20 8 1 1 0 0 0 9 26 1 0 0 0 0 10 24 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 6 0 0 0 18 20 1 0 0 0 0 18 27 1 6 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:167531 > aromadendrin 7-O-glucoside > 2 > (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one > C21H22O11 > 450.396 > 450.11621 > 0 > O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H]([C@@H](O)C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO > InChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1 > UDIXYHJHYVDNOG-JUIPTLLLSA-N $$$$