CDK 2/12/10,15:28 21 23 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 2 11 1 0 0 0 0 1 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 4 6 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 13 -1 M END > CHEBI:58393 > aureusidin-6-olate > An organic anion that is the conjugate base of aureusidin, arising from selective deprotonation of the hydroxy group at position 6 of the benzofuran moiety; major species at pH 7.3. > 3 > aureusidin(1-) > (2Z)-2-(3,4-dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate > C15H9O6 > 285.22840 > 285.04046 > -1 > Oc1ccc(cc1O)\C=C1/Oc2cc([O-])cc(O)c2C1=O > InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/p-1/b13-4- > WBEFUVAYFSOUEA-PQMHYQBVSA-M $$$$