Mrv1652309012223072D 52 55 0 0 0 0 999 V2000 0.0008 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3255 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 1.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 1.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 2.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 2.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 3.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 4.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 4.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 4.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 4.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 3.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 3.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2706 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0804 3.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8119 2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 2.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6065 1.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4776 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4293 1.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 2.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3284 2.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8161 3.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5863 4.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7152 4.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3995 1.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 0.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2379 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 -1.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 -1.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 -2.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 -2.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2095 -3.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -3.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -2.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 3.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 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 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 17 18 1 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 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 33 34 2 0 0 0 0 34 35 1 0 0 0 0 22 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 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 2 50 1 0 0 0 0 50 51 1 0 0 0 0 12 52 1 0 0 0 0 9 52 1 0 0 0 0 M END > NP0142557 > NP-MRD > C\C=C\C(C)CC(O)\C=C\C(\C)=C\C1OC(=O)CC\C=C/C=C(C)\CC(O)CC(C)C(=C)CC(O)C(O)CC2CCC(CC3CCC(O3)C3OC13)O2 > InChI=1S/C43H66O9/c1-7-11-27(2)20-32(44)15-14-29(4)22-40-43-42(52-43)39-19-18-35(50-39)25-34-16-17-36(49-34)26-38(47)37(46)24-31(6)30(5)23-33(45)21-28(3)12-9-8-10-13-41(48)51-40/h7-9,11-12,14-15,22,27,30,32-40,42-47H,6,10,13,16-21,23-26H2,1-5H3/b9-8-,11-7+,15-14+,28-12-,29-22+ > QHPAMUREQCYAIK-UXUQVQBCSA-N > C43H66O9 > 726.992 > 726.470683705 > 8 > 118 > 84.20113181238835 > 0 > 4 > 0 > 0 > (10Z,12Z)-15,20,21-trihydroxy-5-[(1E,3E,8E)-5-hydroxy-2,7-dimethyldeca-1,3,8-trien-1-yl]-13,17-dimethyl-18-methylidene-3,6,31,32-tetraoxatetracyclo[26.2.1.1^{23,26}.0^{2,4}]dotriaconta-10,12-dien-7-one > 4.93 > 5.5367837783333345 > -5.28 > 1 > 4 > 0 > 15.26199141162052 > 13.825517499358078 > -0.838105297447436 > 138.20999999999998 > 208.59070000000006 > 6 > 0 > 3.85e-03 g/l > (10Z,12Z)-15,20,21-trihydroxy-5-[(1E,3E,8E)-5-hydroxy-2,7-dimethyldeca-1,3,8-trien-1-yl]-13,17-dimethyl-18-methylidene-3,6,31,32-tetraoxatetracyclo[26.2.1.1^{23,26}.0^{2,4}]dotriaconta-10,12-dien-7-one > 0 > NP0142557 > (10z,12z)-15,20,21-trihydroxy-5-[(1e,3e,8e)-5-hydroxy-2,7-dimethyldeca-1,3,8-trien-1-yl]-13,17-dimethyl-18-methylidene-3,6,31,32-tetraoxatetracyclo[26.2.1.1²³,²⁶.0²,⁴]dotriaconta-10,12-dien-7-one $$$$