Mrv0541 02191413302D 34 38 0 0 1 0 999 V2000 14.6897 -16.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4349 -16.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9198 -15.3883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4350 -14.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6504 -14.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 -14.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2214 -14.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2213 -15.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9358 -16.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6504 -15.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5068 -16.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 -13.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6901 -13.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4971 -13.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7521 -12.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 -12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3931 -12.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1381 -13.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4551 -11.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7449 -15.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1573 -16.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9823 -16.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3949 -15.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9825 -14.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1575 -14.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3951 -13.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3947 -16.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4967 -17.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9197 -16.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9952 -17.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1704 -16.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3214 -18.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5722 -17.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7444 -18.0482 0.0000 O 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 6 0 0 0 4 5 1 0 0 0 0 4 13 1 1 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 1 28 1 0 0 0 0 30 29 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 0 0 0 0 28 31 1 0 0 0 0 33 32 1 0 0 0 0 33 28 2 0 0 0 0 30 34 1 0 0 0 0 M END > CHEBI:76192 > quadrangularin A > An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. > 3 > (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol > C28H22O6 > 454.47070 > 454.14164 > 0 > Oc1ccc(\C=C2/[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)cc2)c2cc(O)cc(O)c2)cc1 > InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1 > BIQMSWPBPAKGSE-PBSLAQMISA-N > 8370734 > Quadrangularin_A > 17051632; 17382336; 17497424; 21510709; 23566915 $$$$