CDK 1029232201 24 25 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 0.0000 O 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 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 -2.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 -2.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -3.7124 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 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 19 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 11 13 1 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:202627 > Graphisin A > 2 > methyl 2-[2,6-dihydroxy-4-(hydroxymethyl)benzoyl]-3,6-dihydroxybenzoate > C16H14O8 > 334.280 > 334.06887 > 0 > O=C(OC)C1=C(C(O)=CC=C1O)C(=O)C2=C(O)C=C(CO)C=C2O > InChI=1S/C16H14O8/c1-24-16(23)14-9(19)3-2-8(18)13(14)15(22)12-10(20)4-7(6-17)5-11(12)21/h2-5,17-21H,6H2,1H3 > YCFOHPYKAPHBRR-UHFFFAOYSA-N $$$$