Mrv2104 03082315202D 32 34 0 0 1 0 999 V2000 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -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 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 O 0 0 0 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 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -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 1 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 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 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 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 O 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 2.1434 -2.8875 0.0000 O 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 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 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 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 12 19 2 0 0 0 0 19 20 1 0 0 0 0 21 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 6 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 9 28 2 0 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0333475 > NP-MRD > COC1=C(C(=O)[C@H]2CC(CCC=C(C)C)=CC[C@@H]2C2=CC=CC=C2)C(O)=C(C)C(O)=C1C > InChI=1S/C28H34O4/c1-17(2)10-9-11-20-14-15-22(21-12-7-6-8-13-21)23(16-20)27(31)24-26(30)18(3)25(29)19(4)28(24)32-5/h6-8,10,12-14,22-23,29-30H,9,11,15-16H2,1-5H3/t22-,23+/m1/s1 > XNIZQTNFDVHYAF-PKTZIBPZSA-N > C28H34O4 > 434.576 > 434.245709575 > 4 > 66 > 49.78039809711104 > 1 > 2 > 0 > 0 > 5-methoxy-2,4-dimethyl-6-[(1S,6S)-3-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol > 7.518413381 > 1 > 3 > 0 > 10.59231311229608 > 8.659897026224392 > -4.587945041528606 > 66.76 > 132.0152 > 7 > 0 > 5-methoxy-2,4-dimethyl-6-[(1S,6S)-3-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol > 0 > NP0333475 > (±)-Cleichalmyrcin A2 $$$$