22524479 CDK 0409211651 31 34 0 0 0 0 0 0 0 0999 V2000 4.2363 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -2.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -2.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 2.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 3.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -2.1342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -1.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9507 -1.7217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -0.8968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9507 -0.8968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8074 -0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8461 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5653 1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5748 2.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2940 3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9941 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0037 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 15 2 1 1 0 0 0 2 17 1 0 0 0 0 11 3 1 6 0 0 0 12 4 1 6 0 0 0 13 5 1 6 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 8 22 2 0 0 0 0 9 26 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 1 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:168115 > Floribundoside > 2 > 7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one > C21H22O10 > 434.397 > 434.12130 > 0 > O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)CO > InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19-,20-,21-/m1/s1 > MFQIWHVVFBCURA-SLOQVBGBSA-N > LMPK12140238 $$$$