Mrv1533004201502422D 35 39 0 0 0 0 999 V2000 5.5539 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.8250 0.0000 C 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 15 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 3 33 1 0 0 0 0 33 34 2 0 0 0 0 7 34 1 0 0 0 0 34 35 1 0 0 0 0 11 35 1 0 0 0 0 29 35 2 0 0 0 0 M END > NP0329945 > NP-MRD > COC1=C(O)C=C2C(=O)OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC4=C3C2=C1OC4=O > InChI=1S/C22H20O13/c1-30-16-8(24)3-6-11-12-7(21(29)34-18(11)16)4-9(17(31-2)19(12)35-20(6)28)32-22-15(27)14(26)13(25)10(5-23)33-22/h3-4,10,13-15,22-27H,5H2,1-2H3 > PNYQFRZBMVRYFC-UHFFFAOYSA-N > C22H20O13 > 492.389 > 492.090390704 > 11 > 55 > 45.90150688224859 > 1 > 5 > 0 > 0 > 13-hydroxy-7,14-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione > 0.11 > -0.9603575633333338 > -2.48 > 0 > 5 > -1 > 12.200012977544901 > 6.170314972755125 > -2.9810923549535993 > 190.67 > 111.7166 > 5 > 0 > 1.64e+00 g/l > 13-hydroxy-7,14-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione > 0 > NP0329945 > 6-hydroxy-7,14-dimethoxy-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione $$$$