10096170 -OEChem-05052413202D 62 65 0 1 0 0 0 0 0999 V2000 3.7617 -3.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 0.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 -2.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 3.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 4.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2882 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4614 5.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 -3.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6200 -2.7693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6681 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 -4.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 3.3242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7860 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 3.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -4.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 4.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3909 2.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 2.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 -5.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 1.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3686 -3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 4.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6427 -4.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -2.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -4.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 -4.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 3.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 1.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 4.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 5.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 4.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 3.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 2.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9314 2.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 2.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 -5.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -5.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 -5.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9742 2.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9091 -4.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 -3.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 4.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 0.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 5.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 10 3 1 6 0 0 0 3 43 1 0 0 0 0 15 4 1 1 0 0 0 4 34 1 0 0 0 0 5 17 1 0 0 0 0 5 60 1 0 0 0 0 6 23 2 0 0 0 0 7 29 1 0 0 0 0 7 61 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 1 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 30 1 0 0 0 0 19 33 2 0 0 0 0 20 25 2 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 24 29 2 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 32 2 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 62 1 0 0 0 0 M END > 10096170 > 1 > 796 > 8 > 3 > 6 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAGgAACAAADVSgmAMyDoAABgCIAqBSiAACCAAkIAAIiAEGCMgNNzaGNRqCeWCl4BULuQfK6PyO4QADCAAYAADCAAYQADAAAAAAAAAAAA== > [(1S)-1-[[(1R,2S)-1,11-dihydroxy-2-isopropenyl-5-methyl-12-oxo-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]methyl]-2-hydroxy-2-methyl-propyl] formate > formic acid [(2S)-1-[(1R,2S)-1,11-dihydroxy-5-methyl-2-(1-methylethenyl)-12-oxo-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-3-hydroxy-3-methylbutan-2-yl] ester > [(2S)-1-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-3-hydroxy-3-methylbutan-2-yl] formate > [(2S)-1-[(1R,2S)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-3-hydroxy-3-methylbutan-2-yl] formate > [(2S)-3-methyl-1-[(1R,2S)-5-methyl-1,11-bis(oxidanyl)-12-oxidanylidene-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]-3-oxidanyl-butan-2-yl] methanoate > formic acid [(1S)-1-[[(1R,2S)-1,11-dihydroxy-2-isopropenyl-12-keto-5-methyl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl]methyl]-2-hydroxy-2-methyl-propyl] ester > InChI=1S/C26H28O8/c1-12(2)15-10-32-24-13(3)8-17-20(21(24)22(15)29)23(30)19-16(28)7-6-14(25(19)34-17)9-18(33-11-27)26(4,5)31/h6-8,11,15,18,22,28-29,31H,1,9-10H2,2-5H3/t15-,18+,22-/m1/s1 > GOKVXLNHAYUYGV-FXCLAUTBSA-N > 4.1 > 468.17841785 > C26H28O8 > 468.5 > CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)O)OC=O)O > CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)C[C@@H](C(C)(C)O)OC=O)O > 123 > 468.17841785 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 14 8 12 16 8 12 23 8 14 20 8 16 25 8 2 16 8 2 22 8 20 25 8 21 22 8 21 28 8 22 24 8 23 24 8 24 29 8 28 32 8 29 32 8 10 3 6 15 4 5 9 19 5 $$$$