5320686 -OEChem-09272320512D 69 73 0 1 0 0 0 0 0999 V2000 11.1972 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2930 1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0511 4.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -3.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1532 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1452 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0473 3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4858 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7525 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5154 4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 18 2 1 1 0 0 0 2 20 1 0 0 0 0 14 3 1 6 0 0 0 3 51 1 0 0 0 0 15 4 1 1 0 0 0 4 52 1 0 0 0 0 17 5 1 6 0 0 0 5 53 1 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 22 2 0 0 0 0 9 24 2 0 0 0 0 10 27 1 0 0 0 0 10 62 1 0 0 0 0 11 33 1 0 0 0 0 11 63 1 0 0 0 0 12 36 1 0 0 0 0 12 64 1 0 0 0 0 13 43 1 0 0 0 0 13 69 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 1 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 29 1 0 0 0 0 25 28 2 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 28 54 1 0 0 0 0 29 37 2 0 0 0 0 29 55 1 0 0 0 0 30 34 1 0 0 0 0 30 56 1 0 0 0 0 31 35 2 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 34 36 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 65 1 0 0 0 0 40 42 2 0 0 0 0 40 66 1 0 0 0 0 41 43 2 0 0 0 0 41 67 1 0 0 0 0 42 43 1 0 0 0 0 42 68 1 0 0 0 0 M END > 5320686 > 1 > 1040 > 13 > 7 > 8 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMECAAAAAACBUAAAGgAACAAADBSwmAMwDoAABgCIAqDSCAICCAAkIAAIiAFGCMgdNzaGNR6ieWCl4BUPuYfI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate > (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester > [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate > [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate > [(2R,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate > (E)-3-(4-hydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester > InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 > DVGGLGXQSFURLP-VWMSDXGPSA-N > 2.5 > 594.13734088 > C30H26O13 > 594.5 > C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O > C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O > 213 > 594.13734088 > 0 > 43 > 5 > 0 > 1 > 0 > 0 > 1 > 228 > 1 5 255 > 16 19 5 18 2 5 20 21 8 20 22 8 22 23 8 23 25 8 23 27 8 25 28 8 26 30 8 26 31 8 27 32 8 28 33 8 14 3 6 30 34 8 31 35 8 32 33 8 34 36 8 35 36 8 38 39 8 38 40 8 39 41 8 15 4 5 40 42 8 41 43 8 42 43 8 17 5 6 7 21 8 7 25 8 $$$$