42607603 CDK 1202211636 29 31 0 0 0 0 0 0 0 0999 V2000 3.5220 -0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -3.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -2.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -2.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -3.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 2.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.3967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2365 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 -1.1592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 13 2 1 1 0 0 0 2 15 1 0 0 0 0 10 3 1 1 0 0 0 4 11 1 0 0 0 0 12 5 1 6 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:185101 > Chalconaringenin 2'-xyloside > 2 > (E)-1-[2,4-dihydroxy-6-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > C20H20O9 > 404.371 > 404.11073 > 0 > O1[C@@H](OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@H](O)C1 > InChI=1S/C20H20O9/c21-11-4-1-10(2-5-11)3-6-13(23)17-14(24)7-12(22)8-16(17)29-20-19(27)18(26)15(25)9-28-20/h1-8,15,18-22,24-27H,9H2/b6-3+/t15-,18+,19?,20+/m1/s1 > YFTPPEJHVJJJMC-QHZVWEBBSA-N > LMPK12120249 $$$$