44257051 CDK 0910211424 31 35 0 0 0 0 0 0 0 0999 V2000 3.7799 -1.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -1.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 1.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 4.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 -4.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -4.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5076 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5076 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -1.1220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5207 -1.5516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2583 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 2.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 -2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 3.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -3.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 -4.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 10 2 1 6 0 0 0 3 18 1 0 0 0 0 3 30 1 0 0 0 0 4 25 1 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 20 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 26 2 0 0 0 0 22 25 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:178577 > Shanciol > 2 > (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-]chromene-3,8-diol > C25H24O6 > 420.461 > 420.15729 > 0 > O1[C@@H]([C@@H](O)CC2=C3CCC4=C(C3=C(OC)C=C12)C=CC(O)=C4)C5=CC(OC)=C(O)C=C5 > InChI=1S/C25H24O6/c1-29-22-10-14(4-8-19(22)27)25-20(28)11-18-17-6-3-13-9-15(26)5-7-16(13)24(17)23(30-2)12-21(18)31-25/h4-5,7-10,12,20,25-28H,3,6,11H2,1-2H3/t20-,25+/m0/s1 > KKBKTGYRMZXDKM-NBGIEHNGSA-N > LMPK12020012 $$$$