12960459 CDK 0512222200 54 59 0 0 0 0 0 0 0 0999 V2000 5.6743 -3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -4.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -3.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -3.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -5.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -6.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 4.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -5.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 3.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 3.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 4.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5177 2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 6.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4994 0.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2467 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -3.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -3.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 -4.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 -5.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -5.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -5.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -5.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 3.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 4.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5209 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 4.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 3.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 5.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 -0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 2.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8177 -0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8177 -1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 -1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 25 1 0 0 0 0 3 31 1 0 0 0 0 4 27 1 0 0 0 0 4 39 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 26 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 38 1 0 0 0 0 13 44 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 41 1 0 0 0 0 17 45 1 0 0 0 0 18 40 1 0 0 0 0 19 42 2 0 0 0 0 20 47 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 41 48 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 43 47 2 0 0 0 0 44 46 1 0 0 0 0 44 49 2 0 0 0 0 45 46 2 0 0 0 0 47 49 1 0 0 0 0 48 50 2 0 0 0 0 48 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 2 0 0 0 0 52 54 2 0 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:191788 > Kaempferol 3-sophoroside 7-glucoside > 2 > 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > C33H40O21 > 772.662 > 772.20621 > 0 > O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO > InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2 > MBFNAZBJKVFNKZ-UHFFFAOYSA-N $$$$