Mrv1533004191520182D 66 73 0 0 0 0 999 V2000 -2.2539 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 -2.9684 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 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.8250 0.0000 O 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 -1.8414 -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 C 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 0.6336 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -0.8250 0.0000 C 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 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 0.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -0.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -1.2592 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 -0.1914 -0.1105 0.0000 C 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 -1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4414 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 -5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 -6.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 -6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 -5.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 -6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9789 -6.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7414 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 -7.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5039 -7.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4414 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 -6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 -5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 -4.3974 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 4 5 1 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 8 9 1 0 0 0 0 9 10 2 0 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 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 13 26 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 7 29 1 0 0 0 0 29 30 2 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 3 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 52 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 50 59 1 0 0 0 0 59 60 1 0 0 0 0 48 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 43 63 1 0 0 0 0 41 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 36 66 1 0 0 0 0 M END > NP0277334 > NP-MRD > COC1CC(OC2CC3=CCC4C(CCC(C)(C5=C(C)OC=C5)C4=O)C3(C)CC2=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1 > InChI=1S/C48H72O18/c1-22-28(13-15-58-22)47(5)14-12-29-27(45(47)54)11-10-26-16-31(30(50)20-48(26,29)6)62-36-17-32(55-7)42(23(2)59-36)64-37-18-33(56-8)43(24(3)60-37)65-38-19-34(57-9)44(25(4)61-38)66-46-41(53)40(52)39(51)35(21-49)63-46/h10,13,15,23-25,27,29,31-44,46,49,51-53H,11-12,14,16-21H2,1-9H3 > VZLBVKGFRIITIA-UHFFFAOYSA-N > C48H72O18 > 937.086 > 936.471865478 > 17 > 138 > 100.30326450522058 > 0 > 4 > 0 > 0 > 7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1,6-dione > 2.41 > 3.8485370929999974 > -3.95 > 1 > 8 > 0 > 13.199995293029023 > 12.21031720677228 > -2.7540763465954146 > 229.72999999999996 > 230.3032 > 13 > 0 > 1.04e-01 g/l > 7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-3,4,4a,5,7,8,10,10a-octahydrophenanthrene-1,6-dione > 0 > NP0277334 > 7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-3,4,4a,5,7,8,10,10a-octahydrophenanthrene-1,6-dione $$$$