Mrv1652304292205442D 96106 0 0 1 0 999 V2000 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2020 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2882 -1.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7806 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7895 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -3.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 -3.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3489 -2.1073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9364 -1.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3489 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1739 -0.6784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5301 -1.3545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 -1.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4395 -2.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3551 -2.7835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6770 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 -2.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9886 -2.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 -1.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -4.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -1.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3480 3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3480 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9980 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2355 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8230 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9980 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5855 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -0.3020 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 8 7 1 1 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 8 13 1 0 0 0 0 13 14 1 6 0 0 0 15 14 1 6 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 15 20 1 0 0 0 0 20 21 1 1 0 0 0 19 22 1 1 0 0 0 18 23 1 6 0 0 0 17 24 1 1 0 0 0 12 25 1 1 0 0 0 26 25 1 1 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 26 31 1 0 0 0 0 31 32 1 6 0 0 0 33 32 1 6 0 0 0 33 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 33 38 1 0 0 0 0 37 39 1 6 0 0 0 39 40 1 0 0 0 0 36 41 1 6 0 0 0 35 42 1 6 0 0 0 34 43 1 6 0 0 0 30 44 1 1 0 0 0 29 45 1 1 0 0 0 28 46 1 1 0 0 0 46 47 1 0 0 0 0 11 48 1 1 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 3 51 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 2 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 57 1 6 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 61 67 1 0 0 0 0 63 68 1 1 0 0 0 63 69 1 6 0 0 0 61 70 1 1 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 73 72 1 1 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 6 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 6 0 0 0 84 87 1 6 0 0 0 83 88 1 1 0 0 0 82 89 1 6 0 0 0 77 90 1 1 0 0 0 76 91 1 1 0 0 0 75 92 1 1 0 0 0 92 93 1 0 0 0 0 58 94 1 6 0 0 0 53 95 1 1 0 0 0 2 96 1 1 0 0 0 M END > NP0082656 > NP-MRD > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23CCC(=C)[C@@](C)(O)[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C65H104O31/c1-24-12-17-65(59(83)96-58-50(44(79)39(74)31(22-68)90-58)93-53-45(80)40(75)35(70)25(2)86-53)19-18-62(7)27(52(65)64(24,9)84)10-11-33-61(6)15-14-34(60(4,5)32(61)13-16-63(33,62)8)91-56-51(95-54-46(81)41(76)36(71)26(3)87-54)48(28(69)23-85-56)92-57-49(43(78)38(73)30(21-67)89-57)94-55-47(82)42(77)37(72)29(20-66)88-55/h10,25-26,28-58,66-82,84H,1,11-23H2,2-9H3/t25-,26-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47+,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,61-,62+,63+,64+,65-/m0/s1 > RRAZMCQBEZRQIH-LPWNGMEGSA-N > C65H104O31 > 1381.516 > 1380.656156569 > 30 > 200 > 141.15063842628228 > 0 > 18 > 0 > 0 > (2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (1S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.37 > -3.3232316126666643 > -2.35 > 1 > 11 > 0 > 12.175530831547903 > 11.747465583823452 > -3.6765067038658126 > 491.9700000000002 > 320.4513999999999 > 16 > 0 > 6.20e+00 g/l > (2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (1S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3H-picene-4a-carboxylate > 0 > NP0082656 > (+)-Ilekudinoside F $$$$