44257246 CDK 0320241550 39 42 0 0 0 0 0 0 0 0999 V2000 7.0943 -2.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -2.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -4.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9884 0.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7908 1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2381 4.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -3.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0943 -4.0271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3798 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -3.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -2.7896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 1.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2477 2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5316 2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9606 2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2413 3.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 5.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 18 2 1 1 0 0 0 2 20 1 0 0 0 0 14 3 1 6 0 0 0 15 4 1 1 0 0 0 5 17 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 32 1 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 9 23 2 0 0 0 0 10 28 2 0 0 0 0 11 33 1 0 0 0 0 12 33 2 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:229832 > afrormosin 7-o-(6''-malonylglucoside) > 2 > 3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid > C26H26O13 > 546.481 > 546.13734 > 0 > O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)COC(=O)CC(O)=O > InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/t19?,23-,24+,25?,26-/m1/s1 > HOWDEROVXAADRI-ITQFFKQTSA-N > LMPK12050099 $$$$