CDK 1028232203 24 26 0 0 0 0 0 0 0 0999 V2000 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 1 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 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -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 1 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -4.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -4.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 6 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 12 6 1 0 0 0 0 7 13 1 6 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 1 0 0 0 14 18 1 1 0 0 0 19 14 1 0 0 0 0 15 20 1 6 0 0 0 16 21 1 0 0 0 0 19 22 1 1 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 8 12 1 0 0 0 0 11 16 1 0 0 0 0 15 19 1 0 0 0 0 M END > CHEBI:200309 > Ampelanol > 2 > (1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-hexahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one > C16H20O8 > 340.328 > 340.11582 > 0 > O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H]3[C@@H]1[C@H](O)[C@@H](O)[C@](O)(C)[C@@H]3O > InChI=1S/C16H20O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,9-11,13-15,17-18,20-23H,1-2H3/t9-,10-,11-,13-,14+,15+,16-/m0/s1 > WYVKBAUSAOYEHR-DQJRHUNDSA-N $$$$