Mrv2104 03082315202D 31 33 0 0 1 0 999 V2000 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 20 2 0 0 0 0 20 21 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 10 28 2 0 0 0 0 5 29 1 0 0 0 0 2 30 2 0 0 0 0 9 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0333474 > NP-MRD > COC1=C(C(=O)[C@H]2CC=C(CC\C=C\C)C[C@@H]2C2=CC=CC=C2)C(O)=C(C)C(O)=C1C > InChI=1S/C27H32O4/c1-5-6-8-11-19-14-15-21(22(16-19)20-12-9-7-10-13-20)26(30)23-25(29)17(2)24(28)18(3)27(23)31-4/h5-7,9-10,12-14,21-22,28-29H,8,11,15-16H2,1-4H3/b6-5+/t21-,22+/m0/s1 > SNYRJFDVFTTWSJ-XPBWLIJGSA-N > C27H32O4 > 420.549 > 420.23005951 > 4 > 63 > 48.177230871306634 > 1 > 2 > 0 > 0 > 5-methoxy-2,4-dimethyl-6-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol > 7.275052109333332 > 1 > 3 > 0 > 10.592348345726485 > 8.659932577740717 > -4.587940313859171 > 66.76 > 127.7332 > 7 > 0 > 5-methoxy-2,4-dimethyl-6-[(1S,6S)-4-[(3E)-pent-3-en-1-yl]-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol > 0 > NP0333474 > (±)-Cleichalmyrcin A1 $$$$