45782894 CDK 0409211651 33 36 0 0 0 0 0 0 0 0999 V2000 4.2363 -2.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -3.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 1.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 4.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -3.9482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -3.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -2.7106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -2.7106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -2.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3929 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 2.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6736 2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1026 2.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 3.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 3.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 15 2 1 1 0 0 0 2 18 1 0 0 0 0 12 3 1 1 0 0 0 13 4 1 6 0 0 0 14 5 1 6 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 10 24 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:168844 > Glycitein 7-O-glucuronide > 2 > (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid > C22H20O11 > 460.391 > 460.10056 > 0 > O1[C@@H](OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(O)C=C4)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O > InChI=1S/C22H20O11/c1-30-14-6-11-13(31-8-12(16(11)24)9-2-4-10(23)5-3-9)7-15(14)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 > HVZUFDAWJOXFQU-SXFAUFNYSA-N $$$$