10621 -OEChem-10101305022D 77 81 0 1 0 0 0 0 0999 V2000 11.5981 1.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3378 -0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2096 -2.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1981 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4545 3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6096 -1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6174 -3.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3532 -4.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4660 0.5127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3301 1.0160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3263 2.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4583 2.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4776 -2.4873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3417 -1.9840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4814 -3.4873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3494 -3.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5942 2.0094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4699 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2135 -3.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0814 -3.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 0.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8659 1.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3239 2.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9202 2.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9419 -2.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8036 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4838 -4.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8875 -4.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5918 2.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8589 -0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2601 -1.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7492 -3.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7735 -4.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6196 -4.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3894 -3.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7338 0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7285 2.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 3.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0739 -2.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6197 -4.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8914 -5.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 3.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4779 -0.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 21 2 1 6 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 17 4 1 6 0 0 0 4 59 1 0 0 0 0 24 5 1 1 0 0 0 5 28 1 0 0 0 0 18 6 1 1 0 0 0 6 60 1 0 0 0 0 19 7 1 6 0 0 0 7 61 1 0 0 0 0 20 8 1 1 0 0 0 8 62 1 0 0 0 0 22 9 1 1 0 0 0 9 63 1 0 0 0 0 23 10 1 6 0 0 0 10 64 1 0 0 0 0 11 30 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 12 72 1 0 0 0 0 13 36 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 74 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 1 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 1 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 31 35 1 0 0 0 0 31 66 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 1 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 70 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 M END > 10621 > 1 > 940 > 15 > 8 > 7 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aJECAAAAAACRQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAACCAAkIAAIiAEGiMgdNzaGNRqieWOl4BUPuQfI7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one > (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one > InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > QUQPHWDTPGMPEX-QJBIFVCTSA-N > -1.1 > 610.18977 > C28H34O15 > 610.56056 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O > 234 > 610.18977 > 0 > 43 > 11 > 0 > 0 > 0 > 0 > 1 > 27 > 1 5 255 > 23 10 6 16 25 5 21 2 6 26 27 5 28 29 8 28 31 8 29 30 8 30 32 8 31 35 8 32 35 8 33 37 5 37 38 8 37 39 8 38 40 8 39 41 8 17 4 6 40 42 8 41 42 8 24 5 5 18 6 5 19 7 6 20 8 5 22 9 5 $$$$