Mrv1533004151519182D 61 68 0 0 0 0 999 V2000 4.1763 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -0.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7282 -6.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -6.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2551 -7.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 -8.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 -6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8095 -6.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8843 -5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4363 -5.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -6.3493 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 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 25 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 18 39 1 0 0 0 0 23 39 1 0 0 0 0 28 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 20 43 1 0 0 0 0 15 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 4 47 1 0 0 0 0 47 48 1 0 0 0 0 47 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 54 55 1 0 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 51 58 1 0 0 0 0 58 59 1 0 0 0 0 49 60 1 0 0 0 0 2 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0142320 > NP-MRD > CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C5CCC6(CCC(C)(C)CC6C5=CCC34)C(O)=O)C2(C)CO)C(O)C(OC2OC(CO)C(O)C2O)C1O > InChI=1S/C45H72O16/c1-21-30(49)35(60-37-33(52)32(51)26(18-46)58-37)34(53)38(57-21)61-36-31(50)25(48)19-56-39(36)59-29-11-13-43(5)27-8-7-22-23(42(27,4)12-10-28(43)44(29,6)20-47)9-14-45(40(54)55)16-15-41(2,3)17-24(22)45/h7,21,23-39,46-53H,8-20H2,1-6H3,(H,54,55) > RGQGVCLXFKTNEB-UHFFFAOYSA-N > C45H72O16 > 869.055 > 868.482036238 > 16 > 133 > 93.11642454224634 > 0 > 9 > 0 > 0 > 10-({3-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid > 2.04 > 2.0090880703333363 > -3.71 > 1 > 8 > -1 > 11.923703491670091 > 4.7181301620429865 > -2.9811434809044437 > 254.51999999999995 > 214.69530000000006 > 9 > 0 > 1.68e-01 g/l > 10-({3-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > 0 > NP0142320 > 10-({3-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid $$$$