64 70 0 0001 0 0 0 0 0999 V2000 3.9354 -4.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0851 -5.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0851 -2.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6089 -3.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.8623 -5.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.3980 -6.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3878 -6.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4048 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9354 -3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4711 -2.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.2348 -3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.2348 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.5341 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3845 -3.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.3845 -1.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3845 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3029 -4.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.7450 -6.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9763 -4.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1362 -5.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.5341 -3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8386 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 13.8403 -7.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.3981 -6.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6957 -7.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.0495 -6.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.1600 -4.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 12.8012 -8.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6736 -8.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.7178 -10.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9730 -8.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.9339 -12.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.0172 -10.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1448 -9.5512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 12.8896 -10.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.7621 -11.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 15.1890 -10.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.3165 -10.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.2332 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4050 -12.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5920 -15.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7570 -17.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.8012 -18.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.1056 -12.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9900 -13.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2944 -13.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.2876 -13.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 15.4764 -16.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7808 -15.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8845 -16.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8403 -15.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1227 -18.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.9951 -19.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1669 -20.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.2111 -21.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.0835 -22.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.9117 -21.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.8675 -20.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.0563 -17.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.3829 -17.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.2348 -4.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3845 -5.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 1 2 1 0 2 63 1 0 3 11 1 0 13 3 1 6 4 11 1 0 4 9 1 0 5 6 2 0 6 9 1 0 6 7 1 0 9 8 1 1 9 10 1 0 11 12 1 6 13 63 1 0 13 14 1 0 13 16 1 0 14 17 2 0 15 17 1 0 15 23 1 0 16 23 1 0 17 18 1 0 19 21 1 0 19 20 2 0 20 28 1 0 21 23 1 0 21 22 1 1 23 24 1 6 25 30 1 0 25 26 1 0 26 28 1 0 27 28 1 0 30 27 1 6 28 29 1 6 30 33 1 0 30 31 1 0 31 32 1 0 32 37 1 0 33 35 1 0 34 37 1 0 34 46 1 0 35 39 1 0 35 37 1 0 35 36 1 6 37 38 1 1 39 41 1 0 39 40 1 6 41 46 1 0 41 42 2 0 43 47 1 0 43 50 1 0 44 52 1 0 44 45 1 0 45 55 1 0 46 47 1 0 46 49 1 6 47 48 1 1 50 61 1 0 50 51 1 6 52 61 1 0 52 53 1 1 54 61 1 0 54 55 1 0 55 60 1 6 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 61 62 1 6 63 64 1 6 M END > InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1 > QNDVLZJODHBUFM-WFXQOWMNSA-N > 1/1/N:18,22,53,51,42,10,57,58,19,20,1,2,44,26,32,56,45,25,31,59,15,43,14,4,17,21,52,50,41,28,11,47,37,23,63,39,61,46,35,6,9,55,30,13,48,64,40,5,7,8,60,34,27,3,16,54,33/E:(48,49)/it:im/rA:64cCCOCOCOOCCCHCCCOCCCCCCCHCCOCHCCCOOCHCHCOCCCCCCCOHCCCCOCCCCCOCHCO/rB:s1;;;;d5;s6;;s4s6p8;s9;s1s3s4;N11;n3;s13;;s13;d14s15;s17;;d19;s19;P21;s15s16s21;N23;;s25;;s20s26s27;N28;s25n27;s30;s31;s30;;s33;N35;s32s34s35;P37;s35;N39;s39;d41;;;s44;s34s41;s43s46;P47;N46;s43;N50;s44;P52;;s45s54;s55;s56;s57;s58;N55s59;s50s52s54;N61;s2s13;N63;/rC:3.9354,-4.6429,0;5.0851,-5.3283,0;5.0851,-2.6531,0;2.6089,-3.5596,0;0,-4.0239,0;.8623,-5.0409,0;.398,-6.279,0;2.3878,-6.1021,0;2.1667,-4.7977,0;3.4048,-5.262,0;3.9354,-3.3164,0;3.4711,-2.0783,0;6.2348,-3.3164,0;6.2348,-1.9898,0;8.5341,-1.9898,0;7.3845,-3.9796,0;7.3845,-1.3265,0;7.3845,0,0;10.3029,-4.7977,0;10.745,-6.0579,0;8.9763,-4.5766,0;8.1362,-5.5936,0;8.5341,-3.3164,0;9.8386,-3.0953,0;13.8403,-7.495,0;13.3981,-6.2348,0;11.6957,-7.5613,0;12.0495,-6.279,0;12.16,-4.9524,0;12.8012,-8.313,0;11.6736,-8.9984,0;11.7178,-10.3471,0;13.973,-8.9321,0;12.9339,-12.2927,0;14.0172,-10.2586,0;15.1448,-9.5512,0;12.8896,-10.9661,0;11.7621,-11.6736,0;15.189,-10.8777,0;16.3165,-10.1702,0;15.2332,-12.2042,0;16.405,-12.8233,0;14.592,-15.1669,0;12.757,-17.4883,0;12.8012,-18.837,0;14.1056,-12.9117,0;14.99,-13.9067,0;16.2944,-13.6192,0;13.2876,-13.973,0;15.4764,-16.1618,0;16.7808,-15.8744,0;13.8845,-16.8029,0;13.8403,-15.4764,0;15.1227,-18.7486,0;13.9951,-19.456,0;15.1669,-20.0751,0;15.2111,-21.4017,0;14.0835,-22.1091,0;12.9117,-21.4901,0;12.8675,-20.1635,0;15.0563,-17.422,0;16.3829,-17.5989,0;6.2348,-4.6429,0;7.3845,-5.3283,0; > C44 H68 O13 > 805.0029 > C1C[C@@H](O)[C@@]2(O[C@]([H])([C@H](C)/C=C/[C@]3([H])O[C@]4(CC[C@]5([H])[C@]([H])([C@H](O)C(=C)[C@@]([H])([C@@H](O)C[C@H](C)[C@@]6([H])O[C@@]7(CCCCO7)CC[C@H]6C)O5)O4)CC3)CC(C)=C2)O[C@]1([H])C[C@@](C)(O)C(O)=O > 393845 $$$$