Mrv1652304282223522D 28 31 0 0 1 0 999 V2000 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 O 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 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 6 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 5 10 1 0 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 8 13 1 1 0 0 0 13 14 2 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 17 18 2 0 0 0 0 13 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 2 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 26 28 1 0 0 0 0 1 28 1 0 0 0 0 M END > NP0076681 > NP-MRD > COC1=CC(=CC(OC)=C1O)[C@@H]1OC2=C3OC(=O)C=CC3=CC=C2O[C@H]1CO > InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)26-12-5-3-10-4-6-16(22)27-19(10)20(12)28-18/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m0/s1 > FCWOSPBWIBSFOO-YJBOKZPZSA-N > C20H18O8 > 386.356 > 386.10016754 > 7 > 46 > 37.51336313796924 > 1 > 2 > 0 > 1 > (2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-one > 2.23 > 1.8314895329999998 > -3.40 > 0 > 4 > 0 > 14.5619200053385 > 9.300181637788766 > -2.99041724688408 > 103.68000000000002 > 97.65859999999999 > 4 > 1 > 1.54e-01 g/l > (2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2H,3H-[1,4]dioxino[2,3-h]chromen-9-one > 0 > NP0076681 > Isodaphneticin $$$$