131834172 CDK 0517221028 25 27 0 0 0 0 0 0 0 0999 V2000 2.3644 -0.8123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2453 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4122 -2.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9928 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9928 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2453 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4154 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1346 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1315 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1251 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 4 16 1 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 4 -1 M END > CHEBI:191887 > 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate > 2 > 3,6-dihydroxy-2-(3-methoxyphenyl)-7-sulinooxy-3,4-dihydro-2H-chromen-5-olate > C16H15O8S > 367.350 > 367.04931 > -1 > S(OC=1C=C2OC(C(O)CC2=C([O-])C1O)C3=CC(OC)=CC=C3)(O)=O > InChI=1S/C16H16O8S/c1-22-9-4-2-3-8(5-9)16-11(17)6-10-12(23-16)7-13(24-25(20)21)15(19)14(10)18/h2-5,7,11,16-19H,6H2,1H3,(H,20,21)/p-1 > XBOIKARYUAGYEQ-UHFFFAOYSA-M $$$$