CDK 1029232203 108112 0 0 0 0 0 0 0 0999 V2000 9.4509 -3.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9337 -2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5259 -1.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 -2.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3474 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6803 -3.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5486 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1255 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 -3.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7817 -4.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2872 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 -4.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 -3.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 1.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -3.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 2.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 2.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 -3.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -2.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8577 3.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 -2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3404 4.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7139 4.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1906 5.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9994 5.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 5.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2894 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6624 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 6.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 5.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 5.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9144 2.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4801 6.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 5.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 2.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 3.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 4.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 2.2211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5194 3.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 4.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 4.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 5.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 1.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 2.4953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8959 4.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 4.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 5.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 0.8734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4199 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 1.9586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3847 4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 6.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 1.1476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1865 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 9.4875 0.0000 C 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 3 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 41 37 1 1 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 41 46 1 0 0 0 0 41 47 1 0 0 0 0 43 48 1 0 0 0 0 43 49 1 0 0 0 0 45 50 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 50 55 1 0 0 0 0 56 51 1 0 0 0 0 51 57 1 1 0 0 0 52 58 1 1 0 0 0 53 59 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 6 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 60 66 1 0 0 0 0 61 67 1 0 0 0 0 62 68 2 0 0 0 0 62 69 1 0 0 0 0 63 70 1 0 0 0 0 63 71 1 0 0 0 0 66 72 1 0 0 0 0 69 73 1 0 0 0 0 74 70 1 1 0 0 0 71 75 2 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 72 78 1 0 0 0 0 73 79 1 0 0 0 0 73 80 1 0 0 0 0 74 81 1 0 0 0 0 82 74 1 0 0 0 0 76 83 1 0 0 0 0 76 84 1 0 0 0 0 78 85 1 0 0 0 0 80 86 1 0 0 0 0 87 81 1 0 0 0 0 82 88 1 6 0 0 0 89 82 1 0 0 0 0 84 90 1 0 0 0 0 85 91 1 0 0 0 0 86 92 1 0 0 0 0 86 93 1 0 0 0 0 94 87 1 0 0 0 0 87 95 1 6 0 0 0 89 96 1 6 0 0 0 93 97 2 0 0 0 0 94 98 1 1 0 0 0 95 99 1 0 0 0 0 97100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 16 17 1 0 0 0 0 52 56 1 0 0 0 0 76 77 1 0 0 0 0 84 85 1 0 0 0 0 89 94 1 0 0 0 0 M END > CHEBI:205009 > Liposidolide A > 2 > [(2R,3R,4R,6R)-6-[8-[3,5,7,11,22,24,28,34,35,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-32-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-3-methoxy-2-methyloxan-4-yl] (E)-3,5-dihydroxyhexadec-6-enoate > C78H138O30 > 1555.932 > 1554.92729 > 0 > O=C1OC(C(C2OC2C(O)CCCC(O)CC(O)CC(O)CC3OC(C(C(C(CCC(CCCC(CC(C(C=C1)C)O)O)O)C)O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@@H]4O)O)CO)=O)(O)C(O)C(C3)O)C)C(C(O)C(C(O)C(C(O[C@@H]5O[C@@H]([C@@H](OC)[C@@H](C5)OC(=O)CC(O)CC(O)/C=C/CCCCCCCCC)C)CC)C)C)C > InChI=1S/C78H138O30/c1-11-13-14-15-16-17-18-19-20-23-49(81)33-54(86)37-63(91)102-60-39-64(101-47(9)73(60)100-10)103-59(12-2)43(5)65(92)44(6)66(93)45(7)71-46(8)72-74(106-72)56(87)27-22-26-50(82)32-52(84)34-53(85)35-55-38-58(89)75(97)78(99,108-55)76(98)70(107-77-69(96)68(95)67(94)61(40-79)104-77)42(4)28-30-48(80)24-21-25-51(83)36-57(88)41(3)29-31-62(90)105-71/h20,23,29,31,41-61,64-75,77,79-89,92-97,99H,11-19,21-22,24-28,30,32-40H2,1-10H3/b23-20+,31-29?/t41?,42?,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60-,61-,64+,65?,66?,67-,68+,69+,70?,71?,72?,73-,74?,75?,77-,78?/m1/s1 > PKZZAHCVPDDHNO-LHRGPJSJSA-N $$$$