15940724 CDK 0602212313 32 35 0 0 0 0 0 0 0 0999 V2000 4.2363 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -4.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -3.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1139 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 4.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -3.9450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -3.5325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -3.5325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -2.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -2.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -2.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4078 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4043 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4074 2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6946 2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 2.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6977 3.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 3.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 3.9468 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 16 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 23 1 0 0 0 0 10 24 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 1 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 23 1 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 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:176131 > Genistein 7-O-glucuronide > 2 > (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid > C21H18O11 > 446.364 > 446.08491 > 0 > O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C(O)=O > InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 > JIVINIISUDEORF-ZFORQUDYSA-N > G7G $$$$