131836758 CDK 1202211636 22 23 0 0 0 0 0 0 0 0999 V2000 2.8075 -0.8393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8632 0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 1.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 0.7936 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 10 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 4 14 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:185279 > {[1-(7-hydroxy-2-oxo-2H-chromen-8-yl)-3-methylbut-3-en-2-yl]oxy}sulfonic acid > 2 > [1-(7-hydroxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] hydrogen sulate > C14H14O7S > 326.320 > 326.04602 > 0 > S(OC(CC=1C=2OC(=O)C=CC2C=CC1O)C(C)=C)(O)(=O)=O > InChI=1S/C14H14O7S/c1-8(2)12(21-22(17,18)19)7-10-11(15)5-3-9-4-6-13(16)20-14(9)10/h3-6,12,15H,1,7H2,2H3,(H,17,18,19) > XQLHCDLBTZLLFN-UHFFFAOYSA-N $$$$