131831953 CDK 0409211651 18 18 0 0 0 0 0 0 0 0999 V2000 4.2365 2.1409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 1.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -1.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 2.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -2.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 17 2 0 0 0 0 8 18 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M END > CHEBI:169175 > 3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid > 2 > 3-(4-hydroxy-3-sulooxyphenyl)-2-oxopropanoic acid > C9H8O8S > 276.220 > 275.99399 > 0 > S(OC=1C=C(CC(=O)C(O)=O)C=CC1O)(O)(=O)=O > InChI=1S/C9H8O8S/c10-6-2-1-5(3-7(11)9(12)13)4-8(6)17-18(14,15)16/h1-2,4,10H,3H2,(H,12,13)(H,14,15,16) > OYGZUDCFIYVFLR-UHFFFAOYSA-N $$$$