Mrv1533004171502502D 28 29 0 0 0 0 999 V2000 -1.9830 0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 -0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -1.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -1.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -4.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -4.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -4.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 -3.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -3.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -4.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 -2.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 -2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 -1.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1494 -2.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -3.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 -2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 -1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -2.2461 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 17 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0235663 > NP-MRD > COC(=O)C(=C)C12C(CC(C)C(=O)C1=C(O)C(C)=CC2=O)OC(=O)C(=C)CO > InChI=1S/C20H22O8/c1-9-6-13(22)20(12(4)19(26)27-5)14(28-18(25)11(3)8-21)7-10(2)17(24)15(20)16(9)23/h6,10,14,21,23H,3-4,7-8H2,1-2,5H3 > XJLPDLMDYAPGTC-UHFFFAOYSA-N > C20H22O8 > 390.388 > 390.131467668 > 6 > 50 > 38.73662693227365 > 1 > 2 > 0 > 1 > 5-hydroxy-8a-(3-methoxy-3-oxoprop-1-en-2-yl)-3,6-dimethyl-4,8-dioxo-1,2,3,4,8,8a-hexahydronaphthalen-1-yl 2-(hydroxymethyl)prop-2-enoate > 0.98 > 1.6096686216666667 > -3.17 > 0 > 2 > 0 > 14.896372256769869 > 9.601546594318018 > -2.8441397998124893 > 127.20000000000003 > 99.51649999999997 > 7 > 1 > 2.65e-01 g/l > 5-hydroxy-8a-(3-methoxy-3-oxoprop-1-en-2-yl)-3,6-dimethyl-4,8-dioxo-2,3-dihydro-1H-naphthalen-1-yl 2-(hydroxymethyl)prop-2-enoate > 0 > NP0235663 > 5-hydroxy-8a-(3-methoxy-3-oxoprop-1-en-2-yl)-3,6-dimethyl-4,8-dioxo-2,3-dihydro-1h-naphthalen-1-yl 2-(hydroxymethyl)prop-2-enoate $$$$