CDK 1030232202 25 26 0 0 0 0 0 0 0 0999 V2000 2.8579 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 15 9 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 15 20 1 6 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 10 13 1 0 0 0 0 12 18 1 0 0 0 0 M END > CHEBI:217487 > Diorcinol C > 2 > 4-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-3-(3-hydroxy-5-methylphenoxy)-5-methylphenol > C20H26O5 > 346.423 > 346.17802 > 0 > O(C1=C(C(=CC(=C1)O)C)C[C@H](O)C(OC)(C)C)C2=CC(O)=CC(=C2)C > InChI=1S/C20H26O5/c1-12-6-14(21)9-16(7-12)25-18-10-15(22)8-13(2)17(18)11-19(23)20(3,4)24-5/h6-10,19,21-23H,11H2,1-5H3/t19-/m0/s1 > ZOZHZQKDUWWZSW-IBGZPJMESA-N $$$$