14238622 CDK 0512222200 44 48 0 0 0 0 0 0 0 0999 V2000 4.9508 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.2982 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 -2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -3.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 4.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.0607 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 -2.2982 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 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 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 4.2364 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.4143 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 3.4790 3.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 3.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 1.0018 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 7.8087 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 23 1 0 0 0 0 4 29 1 0 0 0 0 5 18 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 24 1 0 0 0 0 10 27 1 0 0 0 0 11 30 1 0 0 0 0 11 34 1 0 0 0 0 12 31 2 0 0 0 0 13 35 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 44 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 36 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 2 0 0 0 0 39 40 2 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 M END > CHEBI:191482 > Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside] > 2 > 3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one > C28H32O16 > 624.548 > 624.16903 > 0 > O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)CO > InChI=1S/C28H32O16/c1-9-18(33)22(37)26(44-27-23(38)21(36)19(34)16(8-29)42-27)28(40-9)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3 > XROLKJQSNAPGKX-UHFFFAOYSA-N $$$$