44258762 CDK 1202211638 43 47 0 0 0 0 0 0 0 0999 V2000 7.8087 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5133 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -2.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.4732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5232 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.4732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3798 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7725 1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2509 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 20 2 1 1 0 0 0 2 22 1 0 0 0 0 16 3 1 1 0 0 0 4 17 1 0 0 0 0 5 19 1 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 8 24 2 0 0 0 0 9 26 2 0 0 0 0 10 30 1 0 0 0 0 11 35 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 1 0 0 0 19 20 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 30 2 0 0 0 0 26 29 1 0 0 0 0 27 31 2 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 36 2 0 0 0 0 29 37 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 32 38 1 0 0 0 0 33 39 2 0 0 0 0 34 35 2 0 0 0 0 36 42 1 0 0 0 0 37 41 2 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 41 43 1 0 0 0 0 42 43 2 0 0 0 0 M END > CHEBI:186379 > Kaempferol 3-(6''-galloylgalactoside) > 2 > [(2R,3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate > C28H24O15 > 600.485 > 600.11152 > 0 > O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5 > InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21+,23?,24?,28+/m1/s1 > STMNAPXMGWBZSF-PSAUEFDDSA-N > LMPK12111690 $$$$