Mrv0541 02241209372D 65 72 0 0 0 0 999 V2000 -4.3031 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 0.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 -1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7052 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7052 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4497 -2.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 -3.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -2.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 -3.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 1.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 0.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 -1.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 -1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 1.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 1.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 3.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 0.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 -1.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 -2.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -2.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 -3.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 30 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 4 11 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 19 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 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 35 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 27 30 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 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 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 44 1 0 0 0 0 42 48 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 45 47 1 0 0 0 0 47 59 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 51 58 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 59 60 2 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 2 0 0 0 0 M END > NP0300829 > NP-MRD > CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)CCC1=CC=C(O)C=C1 > InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3 > CCLLWPLSBGBSKT-UHFFFAOYSA-N > C50H74O15 > 915.1136 > 914.502771698 > 13 > 99.39784652975818 > 0 > 8 > 0 > 0 > 5-hydroxy-3-{[3-(4-hydroxyphenyl)propanoyl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 4.26 > 4.371922142666664 > -4.58 > 1 > 8 > 0 > 12.175954612455456 > 9.50430788600841 > -0.8351218782914914 > 242.12999999999997 > 234.47729999999999 > 11 > 0 > 2.40e-02 g/l > 5-hydroxy-3-{[3-(4-hydroxyphenyl)propanoyl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > NP0300829 > 5-hydroxy-3-{[3-(4-hydroxyphenyl)propanoyl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate $$$$